3ZJG
A20 OTU domain with irreversibly oxidised Cys103 from 60 min H2O2 soak.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-27 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.800, 69.170, 85.000 |
| Unit cell angles | 98.57, 100.51, 97.10 |
Refinement procedure
| Resolution | 34.000 - 1.920 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vfj |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.679 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.320 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.060 | 0.570 |
| Number of reflections | 69737 | |
| <I/σ(I)> | 13.1 | 1.9 |
| Completeness [%] | 95.3 | 94.6 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 2-2.5 M NACL, 0.1 M MES [PH 6-6.7] CRYSTALS WERE SOAKED IN 50 UM H2O2 FOR 60 MIN PRIOR TO FREEZING AND DATA COLLECTION. |
