6PN8
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.195 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.675, 111.280, 164.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.120 - 1.838 |
R-factor | 0.2111 |
Rwork | 0.209 |
R-free | 0.24790 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.974 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.11.1-2575_1496: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.000 | 1.890 |
High resolution limit [Å] | 1.838 | 1.838 |
Rmerge | 0.195 | 4.956 |
Rpim | 0.062 | 1.568 |
Number of reflections | 83403 | 4354 |
<I/σ(I)> | 7 | 0.5 |
Completeness [%] | 99.8 | 96.5 |
Redundancy | 10.7 | 10.7 |
CC(1/2) | 0.998 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30uM SDS, 5 mM GSH |