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 |
