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 |
