2Y37
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-18 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 212.492, 212.492, 115.372 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.210 - 2.600 |
| R-factor | 0.2097 |
| Rwork | 0.208 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.570 |
| Number of reflections | 47095 | |
| <I/σ(I)> | 12.9 | 2 |
| Completeness [%] | 99.1 | 97.3 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | pH 6.4 |
