6BIJ
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 | 2015-07-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | .95370 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.010, 177.710, 77.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.399 - 2.100 |
| R-factor | 0.1837 |
| Rwork | 0.181 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mdi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.892 |
| 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] | 35.340 | 35.340 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.141 | 0.029 | 0.733 |
| Rmeas | 0.152 | 0.031 | 0.790 |
| Rpim | 0.056 | 0.012 | 0.291 |
| Total number of observations | 195951 | 2422 | 15982 |
| Number of reflections | 27310 | 409 | 2202 |
| <I/σ(I)> | 12.7 | 33.8 | 2.8 |
| Completeness [%] | 100.0 | 98.3 | 100 |
| Redundancy | 7.2 | 5.9 | 7.3 |
| CC(1/2) | 0.997 | 0.999 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 26%PEG3350, 100mM Bis-Tris-Propane pH7.3, 200 mM Potassium Nitrate |
