6BIZ
HLA-DRB1 in complex with citrullinated Histone 2B 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 | 2015-07-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.185, 182.599, 76.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.246 - 2.100 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.22840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mdi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.872 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.090 | 2.180 |
High resolution limit [Å] | 2.100 | 2.050 |
Rmerge | 0.035 | 0.880 |
Number of reflections | 31731 | |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.4 | |
Redundancy | 7.2 | |
CC(1/2) | 0.998 | 0.191 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 22-28% PEG 3350, 0.2M Potassium Nitrate, 0.1M Bis-Tris-Propane pH 7.3 |