4OCG
Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase F161A Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-10-01 |
Detector | Pilatus |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 |
Unit cell lengths | 133.710, 133.710, 84.317 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.750 |
R-factor | 0.12483 |
Rwork | 0.122 |
R-free | 0.17307 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.002 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.810 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 42058 | |
<I/σ(I)> | 14.5 | 8.8 |
Completeness [%] | 96.1 | 88.5 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 298 | 200 mM ammonium acetate, 50 mM sodium citrate, 5% PEG 4000, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |