6CID
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.492, 121.522, 165.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.722 - 1.750 |
R-factor | 0.1704 |
Rwork | 0.169 |
R-free | 0.19880 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4uh5 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.034 |
Data reduction software | XDS |
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] | 50.000 | 1.790 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.211 | 1.987 |
Rpim | 0.064 | 0.905 |
Number of reflections | 104983 | 4202 |
<I/σ(I)> | 14.1 | 0.9 |
Completeness [%] | 97.6 | 82.8 |
Redundancy | 11.2 | 5.5 |
CC(1/2) | 0.997 | 0.438 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 8% PEG3350 35mM citric acid 65mM Bis-Tris-Propane 10% glycerol 5mM TCEP |