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 |
