1M8I
inducible nitric oxide synthase with 5-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 | 2001-01-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 213.962, 213.962, 114.524 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 2.700 |
| Rwork | 0.238 |
| R-free | 0.28100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1DF1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.060 | 0.326 |
| Total number of observations | 85604 * | |
| Number of reflections | 36964 | 2312 * |
| <I/σ(I)> | 15.6 | 2.5 |
| Completeness [%] | 86.6 | 55 |
| Redundancy | 2.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 * | 4 * | Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | EPPS | 40 (mM) | pH7.6 |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | BH4 | 0.002 (mM) | |
| 5 | 1 | reservoir | 20-30 (%) | ||
| 6 | 1 | reservoir | beta-octylglucoside | 5 (%) | |
| 7 | 1 | reservoir | MES | 50 (mM) | pH5.3 |
