3ZJE
A20 OTU domain in reversibly oxidised (SOH) state
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 | 43.850, 69.150, 84.700 |
Unit cell angles | 99.14, 100.28, 97.09 |
Refinement procedure
Resolution | 33.717 - 1.840 |
R-factor | 0.1841 |
Rwork | 0.182 |
R-free | 0.22030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vfj |
RMSD bond length | 0.018 |
RMSD bond angle | 1.678 |
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] | 34.400 | 1.940 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.050 | 0.450 |
Number of reflections | 78093 | |
<I/σ(I)> | 15.3 | 2.5 |
Completeness [%] | 94.3 | 93.9 |
Redundancy | 3.3 | 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] |