5VUK
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.790, 111.410, 164.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.757 - 1.950 |
R-factor | 0.1909 |
Rwork | 0.188 |
R-free | 0.24070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.202 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.132 | 1.906 |
Rpim | 0.102 | 1.460 |
Number of reflections | 69835 | 4438 |
<I/σ(I)> | 4.7 | 0.5 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 4.6 | 4.7 |
CC(1/2) | 0.982 | 0.548 |
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 |