6BIL
HLA-DRB1 in complex with citrullinated fibrinogen peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.410, 184.120, 77.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.317 - 2.400 |
| R-factor | 0.1917 |
| Rwork | 0.189 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mdi |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.538 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.140 | 39.140 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.159 | 0.049 | 0.650 |
| Rmeas | 0.172 | 0.054 | 0.703 |
| Rpim | 0.064 | 0.022 | 0.265 |
| Total number of observations | 136600 | ||
| Number of reflections | 19186 | 420 | 1965 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.7 | 98.4 | 98.7 |
| Redundancy | 7.1 | 6 | 6.9 |
| CC(1/2) | 0.994 | 0.996 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 26% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3 |
