4GQE
Structure of rat neuronal nitric oxide synthase heme domain in complex with (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
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 | 2012-08-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.994, 111.103, 164.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.010 - 1.800 |
| R-factor | 0.19058 |
| Rwork | 0.189 |
| R-free | 0.22168 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1om4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.051 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.057 | 0.746 |
| Number of reflections | 88147 | |
| <I/σ(I)> | 31.6 | 2.3 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 4.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 22% PEG3350, 0.1M MES, 200mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
