1M9J
human endothelial nitric oxide synthase with chlorzoxazone bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.071, 89.891, 155.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.430 |
| Rwork | 0.216 |
| R-free | 0.27100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.400 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.080 | 0.425 |
| Total number of observations | 181549 * | |
| Number of reflections | 34536 | 3376 * |
| <I/σ(I)> | 21.1 | 5.3 |
| Completeness [%] | 89.9 | 89.4 |
| Redundancy | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 298 | NaCl, MPD, PEG, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris | 25 (mM) | pH8.0 |
| 3 | 1 | drop | 400 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 4 (mM) | |
| 5 | 1 | drop | BH4 | 0.010 (mM) | |
| 6 | 1 | reservoir | 200-400 (mM) | ||
| 7 | 1 | reservoir | MPD | 13 (%) | or 2-propamol |
| 8 | 1 | reservoir | PEG3350 | 2-5 (%) |
