7TUD
Crystal structure of HLA-B*44:05 (T73C) with 6mer EEFGRC and dipeptide GL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2019-06-04 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.165, 79.757, 107.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.880 - 1.450 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6o |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.927 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.880 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.071 | 0.943 |
| Rmeas | 0.080 | |
| Rpim | 0.036 | 0.509 |
| Number of reflections | 74712 | 7199 |
| <I/σ(I)> | 11.6 | 1.11 |
| Completeness [%] | 99.0 | 97.01 |
| Redundancy | 4.8 | 4.1 |
| CC(1/2) | 0.998 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 25% PEG 1500, 0.1M SPG (Succinic acid, Sodium phosphate monobasic monohydrate and Glycine) |
