1DD7
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.420, 73.930, 93.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.250 |
| R-factor | 0.197 * |
| Rwork | 0.197 |
| R-free | 0.28400 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.984 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.082 | 0.643 |
| Total number of observations | 70075 * | |
| Number of reflections | 21034 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 98.0 | 89 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 * | 32 * | Crane, B.R., (1997) Science, 278, 425. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | PEG MW 4000 | 16 (%) | |
| 2 | 1 | drop | HEPES | 20 (mM) | |
| 3 | 1 | drop | IM/M | 50 (mM) | |
| 4 | 1 | drop | 2.5 (%sat) | ||
| 5 | 1 | drop | glycerol | 5 (%) | |
| 6 | 1 | drop | dithiothreitol | 0.5 (mM) | |
| 7 | 1 | drop | PEG MW 4000 | 8 (%) | |
| 8 | 1 | reservoir | IM/M | 100 (mM) | |
| 9 | 1 | reservoir | 5 (%sat) |
