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 |