3Q9A
Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.708, 110.607, 164.406 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.110 - 2.240 |
| R-factor | 0.18862 |
| Rwork | 0.186 |
| R-free | 0.23643 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1om4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.411 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.101 | 0.654 |
| Number of reflections | 43855 | |
| <I/σ(I)> | 8.9 | 1.7 |
| Completeness [%] | 95.5 | 93.9 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 20-24% PEG3350, 0.1M MES, 140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
