4CTW
Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-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 | 2013-06-06 |
| Detector | ADSC Q316R |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.230, 110.780, 164.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.100 - 1.900 |
| R-factor | 0.19116 |
| Rwork | 0.189 |
| R-free | 0.22809 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.373 |
| Data reduction software | MOSFLM |
| 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 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 74707 | |
| <I/σ(I)> | 10.8 | 2.3 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.8 | 20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8 |
