5VUO
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-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 | 2015-01-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.948, 110.469, 164.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.071 - 1.800 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.22780 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.178 |
Data reduction software | iMOSFLM (7.1.0) |
Data scaling software | Aimless (0.5.8) |
Phasing software | REFMAC (5.8.0049) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.117 | 2.988 |
Rpim | 0.055 | 1.420 |
Number of reflections | 89006 | 4447 |
<I/σ(I)> | 10.8 | 0.7 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 5.4 | 5.4 |
CC(1/2) | 0.998 | 0.449 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH |