4CAN
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-Fluorobenzylamino)ethyl)quinolin-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-29 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.924, 111.347, 164.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.120 - 1.910 |
| R-factor | 0.19832 |
| Rwork | 0.196 |
| R-free | 0.23932 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.564 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.060 | |
| Number of reflections | 74375 | |
| <I/σ(I)> | 16.6 | 1.2 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 5.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.8 | 20-24% PEG3350 0.1M MES 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30 UM SDS, pH 5.8 |
