5G0P
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE
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 | 2015-09-27 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.590, 111.240, 164.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.078 - 2.100 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.24490 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.009 |
RMSD bond angle | 1.174 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.160 | 1.500 |
Number of reflections | 55639 | |
<I/σ(I)> | 6.8 | 0.8 |
Completeness [%] | 99.3 | 99.1 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8 |