5AHR
Crystal structure of human DNA cross-link repair 1A, crystal form B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-19 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 113.199, 113.199, 125.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.044 - 2.190 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.20110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.067 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.000 | 2.260 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.100 | 1.500 |
| Number of reflections | 42700 | |
| <I/σ(I)> | 13.3 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.3 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.20M NAF; 0.1M BTPROP PH 8.5; 20.0% PEG 3350; 10.0% ETGLY |
