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 |