4LWA
Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
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 | 2012-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.648, 95.029, 63.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.710 - 2.060 |
| R-factor | 0.16648 |
| Rwork | 0.165 |
| R-free | 0.20148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fbz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.112 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.076 | 0.259 |
| Number of reflections | 30635 | |
| <I/σ(I)> | 26.5 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 60 mM Bis-Tris methane, 40 mM citric acid, 20% PEG3350, 1.9% 1-propanol, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
