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 |
