1DIY
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-08-21 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 182.100, 182.100, 103.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.000 - 3.000 |
| R-factor | 0.216 |
| Rwork | 0.215 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1PRH MOLECULE B PROTEIN ONLY |
| RMSD bond length | 0.009 |
| RMSD bond angle | 21.960 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 9.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.067 | 0.347 |
| Number of reflections | 19163 | |
| Completeness [%] | 93.0 * | 81 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 20 * | LITHIUM CHLORIDE, SODIUM AZIDE, SODIUM CITRATE, N-OCTYL GLUCOSIDE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium citrate | 0.64 (M) | |
| 2 | 1 | drop | beta-OG | 0.33 (%(w/v)) | |
| 3 | 1 | drop | 1 (mM) | ||
| 4 | 1 | drop | 0.3-0.6 (M) | ||
| 5 | 1 | reservoir | sodium citrate | 0.84 (M) | |
| 6 | 1 | reservoir | 0.3-0.6 (M) | ||
| 7 | 1 | reservoir | 1 (mM) |
