7NZH
Crystal structure of HLA-DR4 in complex with a citrullinated cilp peptide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 97.277, 112.244, 212.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.698 - 2.831 |
Rwork | 0.244 |
R-free | 0.28330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bil |
RMSD bond length | 0.013 |
RMSD bond angle | 1.622 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.120 | 56.120 | 2.980 |
High resolution limit [Å] | 2.830 | 8.950 | 2.830 |
Rmerge | 0.151 | 0.042 | 1.617 |
Rmeas | 0.164 | 0.045 | 1.749 |
Rpim | 0.061 | 0.017 | 0.659 |
Number of reflections | 27807 | 3932 | 971 |
<I/σ(I)> | 14.4 | ||
Completeness [%] | 98.6 | ||
Redundancy | 13.3 | 11.5 | 13.2 |
CC(1/2) | 0.998 | 0.999 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 290 | 0.1M sodium acetate trihydrate pH 5.5, 0.2M lithium chloride, 18% (w/v) PEG6000 |