1HT5
THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 98.888, 209.450, 223.013 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.890 - 2.750 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cqe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 21.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.890 | 2.920 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.060 | 0.189 |
| Total number of observations | 217384 * | |
| Number of reflections | 53357 | |
| <I/σ(I)> | 13.69 | |
| Completeness [%] | 88.2 | 94 * |
| Redundancy | 4.07 | 4.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 4 * | or 18 degrees centigrade * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG4000 | 1.5-3 (%) | |
| 2 | 1 | drop | 50-125 (mM) | ||
| 3 | 1 | reservoir | PEG4000 | 4-6.5 (%) |
