2VPX
Polysulfide reductase with bound quinone (UQ1)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 114.587, 161.162, 239.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.100 |
R-factor | 0.301 |
Rwork | 0.301 |
R-free | 0.31400 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 2.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.270 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.120 | 0.570 |
Number of reflections | 80559 | |
<I/σ(I)> | 10.7 | 1.9 |
Completeness [%] | 99.5 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 30% PEG 400, 0.1M MES PH6.5, 0.2M CACL2 |