3N8V
Crystal Structure of Unoccupied Cyclooxygenase-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 181.907, 181.907, 102.579 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.200 - 3.050 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q4g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.046 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.200 | 3.130 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.099 | |
| Number of reflections | 36921 | |
| <I/σ(I)> | 24 | |
| Completeness [%] | 99.9 | 97.5 |
| Redundancy | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 273 | SODIUM CITRATE, LITHIUM CHLORIDE, SODIUM AZIDE, N-OCTYL GLUCOSIDE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
