3ZJF
A20 OTU domain with irreversibly oxidised Cys103 from 270 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 | 43.700, 68.800, 85.000 |
| Unit cell angles | 98.44, 100.56, 97.04 |
Refinement procedure
| Resolution | 34.272 - 2.200 |
| R-factor | 0.1836 |
| Rwork | 0.182 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vfj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.393 |
| 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] | 38.180 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 45957 | |
| <I/σ(I)> | 13.2 | 2.2 |
| Completeness [%] | 95.2 | 95.2 |
| Redundancy | 3 | 3 |
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 270 MIN PRIOR TO FREEZING AND DATA COLLECTION. |
