6BIV
HLA-DRB1 in complex with citrullinated LL37 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) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.869, 180.303, 73.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.076 - 2.900 |
| R-factor | 0.1997 |
| Rwork | 0.197 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mdi |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.628 |
| 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] | 45.080 | 45.080 | 3.080 |
| High resolution limit [Å] | 2.900 | 8.700 | 2.900 |
| Rmerge | 0.069 | 0.051 | 0.445 |
| Rmeas | 0.286 | 0.056 | 1.616 |
| Rpim | 0.108 | 0.022 | 0.600 |
| Total number of observations | 70429 | ||
| Number of reflections | 10253 | 434 | 1626 |
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 6.9 | 6.1 | 7 |
| CC(1/2) | 0.986 | 0.997 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 28% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3 |
