4JSK
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
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 | 2011-04-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.097 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.432, 106.572, 156.972 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.900 - 2.280 |
| R-factor | 0.2078 |
| Rwork | 0.205 |
| R-free | 0.25841 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nse |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.606 |
| 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 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.050 | 0.585 |
| Number of reflections | 45192 | |
| <I/σ(I)> | 27.8 | 2.3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 18-22% PEG3350, 0.1 M cacodylate, 200 mM magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
