Table 1.
Data reduction and refinement statistics of HLA-DR1–5T4111–130
| HLA-DR1–5T4111–130 | |
|---|---|
| Dataset statistics | |
| Space group | P 1 21 1 |
| Unit cell parameters | a = 56.96, b = 121.29, c = 68.96 |
| α = 90.0°, β = 107.3°, γ = 90.0° | |
| Radiation source | DLS I02a |
| Wavelength | 0.9795 Å |
| Resolution range | 60.65–1.95 (2.00–1.95) Å |
| CC-half | 0.995 (0.589)b |
| Total reflections | 239,331 (17,960) |
| Unique reflections | 64,792 (4,807) |
| Completeness | 99.6 (99.8) % |
| Multiplicity | 3.7 |
| I/σ | 8.3 (1.3) |
| Rmerge (%) | 10.0 (91.3) |
| Wilson B-factor (A2) | 31.2 |
| Refinement statistics | |
| Phase determination | Molecular replacement (PHASER) |
| No. of reflections used | 64,762 |
| No. of reflections in Rfree set | 3,165 |
| Rcryst (%) | 19.31 |
| Rfree (%) | 24.11 |
| Asymmetric unit (ASU) parameters | |
| Number of copies in ASU | 2 |
| Number of non-H atoms | 6,784 |
| Deviation from ideal geometry (RMSD) | |
| Bond lengths | 0.0191 |
| Bond angles | 1.8659 |
| Chiral volume | 0.1086 |
| Ramachandran statistics (MolProbity) | |
| Most favored | 756 (98.1%) |
| Allowed | 15 (1.9%) |
| Outliers | 0 (0.0%) |
| MolProbity clash score | 2.42 |
| MolProbity score | 1.48 |
a DLS, Diamond Light Source.
b Values in parentheses represent statistical value for data in the outermost resolution shell.