4UQS
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-Bromo-7-Nitroindazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-04 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.420, 94.530, 63.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.2313 |
| Rwork | 0.229 |
| R-free | 0.28306 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lwa |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.050 |
| 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] | 49.700 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.200 | 0.720 |
| Number of reflections | 26866 | |
| <I/σ(I)> | 7.4 | 1.3 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 5.7 | 3.5 |
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 |
