9MYU
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 7-(3-aminomethyl)phenyl-6-fluoro-4-methylquinoin-2-amine
This is a non-PDB format compatible entry.
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 | 2022-03-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.897, 119.079, 165.256 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 39.120 - 2.150 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.25820 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.120 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.120 | 2.813 |
| Rmeas | 0.135 | 3.161 |
| Rpim | 0.061 | 1.424 |
| Total number of observations | 503899 | |
| Number of reflections | 106613 | 5219 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 97.9 | 97.9 |
| Redundancy | 4.7 | 4.7 |
| CC(1/2) | 0.997 | 0.467 |
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 |
