| Parameter . | HLA-A*2601/DVM . | HLA-A*2601/YVA . | HLA-A*2601/EVF . | HLA-A*2601/CVA . | HLA-A*0101/EVF-F3D . |
|---|---|---|---|---|---|
| PDB code | 8XES | 8XFZ | 8XG2 | 8XKC | 8XKE |
| Data collection statistics | |||||
| Space group | C121 | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | |||||
| a(Å) | a = 167.12 | a = 56.49 | a = 60.27 | a = 71.40 | a = 53.17 |
| b(Å) | b = 66.53 | b = 70.83 | b = 66.80 | b = 80.87 | b = 67.25 |
| c(Å) | c = 49.33 | c = 117.04 | c = 116.82 | c = 81.37 | c = 122.47 |
| α(˚) | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 |
| β(˚) | β = 90.23 | β = 90.00 | β = 90.00 | β = 90.00 | β = 90.00 |
| γ(˚) | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 |
| Resolution(Å) | 27.58-1.78 (1.84-1.78)a | 28.24-2.32 (2.40-2.32) | 41.94-1.84 (1.94-1.84) | 36.21-2.50 (2.29-2.18) | 32.38-1.92 (1.99-1.92) |
| Total reflections | 351,377 | 276,525 | 449,872 | 275,847 | 308,339 |
| Unique reflections | 52,088 | 21,060 | 48,349 | 25,558 | 25,142 |
| Completeness (%) | 99.5 (98.9) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 99.6 (98.0) |
| Rmerge (%)b | 5.3 (48.5) | 8.7 (95.0) | 7.9 (68.6) | 18.3 (460) | 12.7 (173.6) |
| Ι/σ(I) | 16.6 (2.5) | 18.0 (2.6) | 18.0 (3.1) | 6.5 (1.2) | 11.9 (1.5) |
| Refinement | |||||
| Rwork (%)c | 20.48 | 19.75 | 18.99 | 20.40 | 21.85 |
| Rfree (%) | 23.49 | 25.07 | 22.96 | 28.20 | 25.52 |
| r.m.s. deviationd | |||||
| Bonds(Å) | 0.0066 | 0.008 | 0.0070 | 0.009 | 0.008 |
| Angle(˚) | 0.85 | 0.87 | 0.87 | 1.06 | 1.03 |
| Average B factor(Å2) | 34.0 | 53.0 | 31.0 | 67.0 | 41.0 |
| Ramachandran plot quality | |||||
| Favored (%) | 98.94 | 98.14 | 98.94 | 95.75 | 98.16 |
| Allowed (%) | 1.06 | 1.86 | 1.06 | 3.72 | 1.84 |
| Outliers (%) | 0 | 0 | 0 | 0.53 | 0 |
| Parameter . | HLA-A*2601/DVM . | HLA-A*2601/YVA . | HLA-A*2601/EVF . | HLA-A*2601/CVA . | HLA-A*0101/EVF-F3D . |
|---|---|---|---|---|---|
| PDB code | 8XES | 8XFZ | 8XG2 | 8XKC | 8XKE |
| Data collection statistics | |||||
| Space group | C121 | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | |||||
| a(Å) | a = 167.12 | a = 56.49 | a = 60.27 | a = 71.40 | a = 53.17 |
| b(Å) | b = 66.53 | b = 70.83 | b = 66.80 | b = 80.87 | b = 67.25 |
| c(Å) | c = 49.33 | c = 117.04 | c = 116.82 | c = 81.37 | c = 122.47 |
| α(˚) | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 |
| β(˚) | β = 90.23 | β = 90.00 | β = 90.00 | β = 90.00 | β = 90.00 |
| γ(˚) | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 |
| Resolution(Å) | 27.58-1.78 (1.84-1.78)a | 28.24-2.32 (2.40-2.32) | 41.94-1.84 (1.94-1.84) | 36.21-2.50 (2.29-2.18) | 32.38-1.92 (1.99-1.92) |
| Total reflections | 351,377 | 276,525 | 449,872 | 275,847 | 308,339 |
| Unique reflections | 52,088 | 21,060 | 48,349 | 25,558 | 25,142 |
| Completeness (%) | 99.5 (98.9) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 99.6 (98.0) |
| Rmerge (%)b | 5.3 (48.5) | 8.7 (95.0) | 7.9 (68.6) | 18.3 (460) | 12.7 (173.6) |
| Ι/σ(I) | 16.6 (2.5) | 18.0 (2.6) | 18.0 (3.1) | 6.5 (1.2) | 11.9 (1.5) |
| Refinement | |||||
| Rwork (%)c | 20.48 | 19.75 | 18.99 | 20.40 | 21.85 |
| Rfree (%) | 23.49 | 25.07 | 22.96 | 28.20 | 25.52 |
| r.m.s. deviationd | |||||
| Bonds(Å) | 0.0066 | 0.008 | 0.0070 | 0.009 | 0.008 |
| Angle(˚) | 0.85 | 0.87 | 0.87 | 1.06 | 1.03 |
| Average B factor(Å2) | 34.0 | 53.0 | 31.0 | 67.0 | 41.0 |
| Ramachandran plot quality | |||||
| Favored (%) | 98.94 | 98.14 | 98.94 | 95.75 | 98.16 |
| Allowed (%) | 1.06 | 1.86 | 1.06 | 3.72 | 1.84 |
| Outliers (%) | 0 | 0 | 0 | 0.53 | 0 |
Values in parentheses refer to statistics in the outermost resolution shell.
Rmerge = ΣhklΣi| Ii - | ΣhklΣiIi, where Ii is the observed intensity and is the average intensity of multiple observations of symmetry-related of reflections.
R= ΣhklǁFobs | -k | Fcal | |/Σhkl | Fobs |, where Rfree is calculated for a randomly chosen 5% of reflections, and Rwork is calculated for the remaining 95% of reflections used for structure refinement.
r.m.s., root mean square.
| Parameter . | HLA-A*2601/DVM . | HLA-A*2601/YVA . | HLA-A*2601/EVF . | HLA-A*2601/CVA . | HLA-A*0101/EVF-F3D . |
|---|---|---|---|---|---|
| PDB code | 8XES | 8XFZ | 8XG2 | 8XKC | 8XKE |
| Data collection statistics | |||||
| Space group | C121 | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | |||||
| a(Å) | a = 167.12 | a = 56.49 | a = 60.27 | a = 71.40 | a = 53.17 |
| b(Å) | b = 66.53 | b = 70.83 | b = 66.80 | b = 80.87 | b = 67.25 |
| c(Å) | c = 49.33 | c = 117.04 | c = 116.82 | c = 81.37 | c = 122.47 |
| α(˚) | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 |
| β(˚) | β = 90.23 | β = 90.00 | β = 90.00 | β = 90.00 | β = 90.00 |
| γ(˚) | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 |
| Resolution(Å) | 27.58-1.78 (1.84-1.78)a | 28.24-2.32 (2.40-2.32) | 41.94-1.84 (1.94-1.84) | 36.21-2.50 (2.29-2.18) | 32.38-1.92 (1.99-1.92) |
| Total reflections | 351,377 | 276,525 | 449,872 | 275,847 | 308,339 |
| Unique reflections | 52,088 | 21,060 | 48,349 | 25,558 | 25,142 |
| Completeness (%) | 99.5 (98.9) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 99.6 (98.0) |
| Rmerge (%)b | 5.3 (48.5) | 8.7 (95.0) | 7.9 (68.6) | 18.3 (460) | 12.7 (173.6) |
| Ι/σ(I) | 16.6 (2.5) | 18.0 (2.6) | 18.0 (3.1) | 6.5 (1.2) | 11.9 (1.5) |
| Refinement | |||||
| Rwork (%)c | 20.48 | 19.75 | 18.99 | 20.40 | 21.85 |
| Rfree (%) | 23.49 | 25.07 | 22.96 | 28.20 | 25.52 |
| r.m.s. deviationd | |||||
| Bonds(Å) | 0.0066 | 0.008 | 0.0070 | 0.009 | 0.008 |
| Angle(˚) | 0.85 | 0.87 | 0.87 | 1.06 | 1.03 |
| Average B factor(Å2) | 34.0 | 53.0 | 31.0 | 67.0 | 41.0 |
| Ramachandran plot quality | |||||
| Favored (%) | 98.94 | 98.14 | 98.94 | 95.75 | 98.16 |
| Allowed (%) | 1.06 | 1.86 | 1.06 | 3.72 | 1.84 |
| Outliers (%) | 0 | 0 | 0 | 0.53 | 0 |
| Parameter . | HLA-A*2601/DVM . | HLA-A*2601/YVA . | HLA-A*2601/EVF . | HLA-A*2601/CVA . | HLA-A*0101/EVF-F3D . |
|---|---|---|---|---|---|
| PDB code | 8XES | 8XFZ | 8XG2 | 8XKC | 8XKE |
| Data collection statistics | |||||
| Space group | C121 | P212121 | P212121 | P212121 | P212121 |
| Cell parameters | |||||
| a(Å) | a = 167.12 | a = 56.49 | a = 60.27 | a = 71.40 | a = 53.17 |
| b(Å) | b = 66.53 | b = 70.83 | b = 66.80 | b = 80.87 | b = 67.25 |
| c(Å) | c = 49.33 | c = 117.04 | c = 116.82 | c = 81.37 | c = 122.47 |
| α(˚) | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 |
| β(˚) | β = 90.23 | β = 90.00 | β = 90.00 | β = 90.00 | β = 90.00 |
| γ(˚) | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 90.00 |
| Resolution(Å) | 27.58-1.78 (1.84-1.78)a | 28.24-2.32 (2.40-2.32) | 41.94-1.84 (1.94-1.84) | 36.21-2.50 (2.29-2.18) | 32.38-1.92 (1.99-1.92) |
| Total reflections | 351,377 | 276,525 | 449,872 | 275,847 | 308,339 |
| Unique reflections | 52,088 | 21,060 | 48,349 | 25,558 | 25,142 |
| Completeness (%) | 99.5 (98.9) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 99.6 (98.0) |
| Rmerge (%)b | 5.3 (48.5) | 8.7 (95.0) | 7.9 (68.6) | 18.3 (460) | 12.7 (173.6) |
| Ι/σ(I) | 16.6 (2.5) | 18.0 (2.6) | 18.0 (3.1) | 6.5 (1.2) | 11.9 (1.5) |
| Refinement | |||||
| Rwork (%)c | 20.48 | 19.75 | 18.99 | 20.40 | 21.85 |
| Rfree (%) | 23.49 | 25.07 | 22.96 | 28.20 | 25.52 |
| r.m.s. deviationd | |||||
| Bonds(Å) | 0.0066 | 0.008 | 0.0070 | 0.009 | 0.008 |
| Angle(˚) | 0.85 | 0.87 | 0.87 | 1.06 | 1.03 |
| Average B factor(Å2) | 34.0 | 53.0 | 31.0 | 67.0 | 41.0 |
| Ramachandran plot quality | |||||
| Favored (%) | 98.94 | 98.14 | 98.94 | 95.75 | 98.16 |
| Allowed (%) | 1.06 | 1.86 | 1.06 | 3.72 | 1.84 |
| Outliers (%) | 0 | 0 | 0 | 0.53 | 0 |
Values in parentheses refer to statistics in the outermost resolution shell.
Rmerge = ΣhklΣi| Ii - | ΣhklΣiIi, where Ii is the observed intensity and is the average intensity of multiple observations of symmetry-related of reflections.
R= ΣhklǁFobs | -k | Fcal | |/Σhkl | Fobs |, where Rfree is calculated for a randomly chosen 5% of reflections, and Rwork is calculated for the remaining 95% of reflections used for structure refinement.
r.m.s., root mean square.
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