6XK7
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.887, 94.820, 61.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.640 - 1.850 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d3j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.085 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.640 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.014 | 0.298 |
| Number of reflections | 41107 | 4022 |
| <I/σ(I)> | 16.62 | 2.06 |
| Completeness [%] | 86.0 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 60 mM BisTris and 40mM citric acid pH 7.6 and 20% vol/vol polyethylene glycol (PEG) 3350, and 1% propanol |
