7TS9
Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 49.038, 114.502, 164.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.389 - 1.853 |
R-factor | 0.2326 |
Rwork | 0.230 |
R-free | 0.27800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.001 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.580 | 39.580 | 1.890 |
High resolution limit [Å] | 1.853 | 9.070 | 1.853 |
Rmerge | 0.173 | 0.039 | 3.110 |
Rmeas | 0.182 | 0.041 | 3.446 |
Rpim | 0.054 | 0.012 | 1.455 |
Number of reflections | 39856 | 399 | 2338 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.6 | 98.9 | 94.6 |
Redundancy | 11.4 | 11.1 | 5.3 |
CC(1/2) | 0.999 | 0.998 | 0.215 |
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 |