1M9R
human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound
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 | IMAGE PLATE |
Collection date | 2000-12-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.625, 90.280, 155.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.550* |
Rwork | 0.208 |
R-free | 0.26500 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 * |
RMSD bond angle | 23.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.063 | 0.193 |
Total number of observations | 127718 * | |
Number of reflections | 30462 | 2989 * |
<I/σ(I)> | 19.3 | 5.2 |
Completeness [%] | 96.1 | 95.6 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 * | 298 | NaCl, MPD, PEG, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 (%) |