4FVX
Structure of rat nNOS heme domain in complex with N(omega)-ethoxy-L-arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.000, 111.280, 165.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.800 - 2.000 |
| R-factor | 0.18284 |
| Rwork | 0.181 |
| R-free | 0.22117 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1om4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.424 |
| 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] | 37.800 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.071 | 0.588 |
| Number of reflections | 65282 | |
| <I/σ(I)> | 19.7 | 1.7 |
| Completeness [%] | 99.6 | 97.8 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 20-22% PEG3350, 0.1M Cacodylate, 140-200mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
