5G0N
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
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 | 2015-02-19 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.779, 110.201, 164.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.828 - 1.936 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.21570 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.141 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.110 | 1.230 |
Number of reflections | 70703 | |
<I/σ(I)> | 9.1 | 1.1 |
Completeness [%] | 99.6 | 93.4 |
Redundancy | 5 | 4.2 |
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 |