5LSM
Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97833 |
Spacegroup name | P 1 |
Unit cell lengths | 76.001, 99.911, 108.558 |
Unit cell angles | 95.31, 106.23, 91.62 |
Refinement procedure
Resolution | 34.160 - 2.500 |
R-factor | 0.18866 |
Rwork | 0.185 |
R-free | 0.25572 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gjl |
RMSD bond length | 0.008 |
RMSD bond angle | 1.066 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.160 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.067 | 0.343 |
Number of reflections | 99971 | |
<I/σ(I)> | 10.7 | |
Completeness [%] | 95.0 | |
Redundancy | 1.8 | |
CC(1/2) | 0.998 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5 M potassium dihydrogen phosphate and 20 % w/v PEG 8000 |