1M7Z
Structure of Nitric Oxide Synthase Heme Protein from Bacillus Subtilis with N-Hydroxy-Arginine and Tetrahydrofolate Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.085, 93.068, 62.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 2.130 * |
| Rwork | 0.212 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dww |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.510 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.130 * | 2.130 * |
| Rmerge | 0.086 * | 0.467 * |
| Total number of observations | 199903 * | |
| Number of reflections | 37880 | |
| <I/σ(I)> | 10.1 | 8.6 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 * | 22 * | PEG 8K, potassium acetate, pH 7.0, VAPOR DIFFUSION, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 45 (mg/ml) | |
| 2 | 1 | drop | THF | 33 (mM) | |
| 3 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 4 | 1 | drop | 150 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 2 (mM) | |
| 6 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.0-6.8 |
| 7 | 1 | reservoir | potassium acetate | 200 (mM) | |
| 8 | 1 | reservoir | PEG8000 | 16-21 (%) |
