6ATZ
HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.881, 72.885, 95.316 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 45.478 - 2.700 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mcy |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.060 | 47.060 | 2.830 |
| High resolution limit [Å] | 2.700 | 8.950 | 2.700 |
| Rmerge | 0.128 | 0.063 | 0.481 |
| Rmeas | 0.157 | 0.077 | 0.584 |
| Rpim | 0.089 | 0.044 | 0.328 |
| Total number of observations | 71175 | 1855 | 9586 |
| Number of reflections | 24028 | 700 | 3146 |
| <I/σ(I)> | 6.1 | 10.3 | 2.3 |
| Completeness [%] | 99.2 | 99.1 | 98.8 |
| Redundancy | 3 | 2.7 | 3 |
| CC(1/2) | 0.981 | 0.991 | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 30% PEG3350, 0.2 M potassium nitrate, 0.1 M Bis-Tris propane, pH 7.3 |
