4D3K
Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
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 | 2013-09-19 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.973, 94.550, 125.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.435 - 2.017 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lwa |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.029 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.510 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.050 | 0.110 |
| Number of reflections | 63764 | |
| <I/σ(I)> | 21.6 | 8.5 |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 5.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | pH 7.6 |
