4UQR
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-omega-Nitro-L-Arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-03 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.606, 94.820, 62.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.720 |
| R-factor | 0.16959 |
| Rwork | 0.168 |
| R-free | 0.19912 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lwa |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.765 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.410 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.060 | 0.560 |
| Number of reflections | 50723 | |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 97.9 | 94.2 |
| Redundancy | 4.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 60 MM BIS-TRIS METHANE/40 MM CITRIC ACID PH 7.6, 15% (VOL/VOL) PEG 3350, 1.9% (VOL/VOL) 1-PROPANOL |
