1M9M
human endothelial nitric oxide synthase with 6-nitroindazole bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-01-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.757, 90.782, 155.551 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 1.960 |
Rwork | 0.193 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
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] | 50.000 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.046 | 0.321 |
Total number of observations | 290276 * | |
Number of reflections | 69487 | 4142 * |
<I/σ(I)> | 28.4 | 2.7 |
Completeness [%] | 96.6 | 87.2 |
Redundancy | 4.2 | 2.1 |
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 (%) |