4UG6
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-04 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.460, 95.435, 63.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.115 - 1.810 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.23370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.706 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.850 | 1.850 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.260 | 1.210 |
Number of reflections | 45754 | |
<I/σ(I)> | 5.4 | 1.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.0 |