3NTD
Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase C531S 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 | IMAGE PLATE |
| Collection date | 2009-02-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 3 |
| Unit cell lengths | 133.737, 133.737, 79.713 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 115.850 - 1.990 |
| R-factor | 0.15958 |
| Rwork | 0.158 |
| R-free | 0.18465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3icr |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.353 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 116.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 103268 | |
| <I/σ(I)> | 15.8 | 6.9 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 298 | 50 mM Na acetate, 200 mM ammonium acetate, 5% PEG 8K, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
