4UQ2
Crystal structure of HLA-A1101 in complex with an azobenzene- containing peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-09-19 |
Detector | RIGAKU R-AXIS IV++ |
Spacegroup name | P 1 |
Unit cell lengths | 52.140, 71.460, 75.430 |
Unit cell angles | 106.74, 96.74, 105.28 |
Refinement procedure
Resolution | 29.930 - 2.430 |
R-factor | 0.18976 |
Rwork | 0.187 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hn7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.693 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.930 | 2.560 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.050 | 0.170 |
Number of reflections | 35112 | |
<I/σ(I)> | 17.4 | 6.8 |
Completeness [%] | 94.7 | 90.7 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M AMMONIUM SULFATE, 15% W/V PEG4000, 0.1M TRI-SODIUM CITRATE PH5.6 |