2BHJ
murine iNO synthase with coumarin inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-02-20 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 213.540, 213.540, 115.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.400 - 3.200 |
R-factor | 0.276 |
Rwork | 0.276 |
R-free | 0.32300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nod |
RMSD bond length | 0.007 |
RMSD bond angle | 1.483 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.260 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.050 | 0.300 |
Number of reflections | 24026 | |
<I/σ(I)> | 19.5 | 2.7 |
Completeness [%] | 92.7 | 69 |
Redundancy | 4.8 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.7 M AMMONIUM SULFATE - 50 MM HEPES PH 7 - 5 MM TCEP - 40 MM N-OCTYL BD-GLUCOPYRANOSIDE |