3NOD
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 213.000, 213.000, 114.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1noc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.057 * | 0.297 * |
| Number of reflections | 37946 | |
| <I/σ(I)> | 18.2 | 2.8 |
| Completeness [%] | 88.5 | 53.9 |
| Redundancy | 3.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 * | 4 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 17 (mg/ml) | |
| 2 | 1 | drop | Hepps | 40 (mM) | |
| 3 | 1 | drop | glycerol | 10 (%) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | H4B | 1 (mM) | |
| 6 | 1 | reservoir | MES | 8-10 (mM) | |
| 7 | 1 | reservoir | beta-octyl glucoside | 5 (%(w/v)) | |
| 8 | 1 | reservoir | 21 (%) | or ammonium sulfate |
