1IGX
Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-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 | 2000-08-20 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 182.170, 182.170, 103.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.23 * |
| Rwork | 0.228 |
| R-free | 0.29600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1diy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 22.021 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.086 | 0.464 |
| Number of reflections | 17814 * | |
| <I/σ(I)> | 25.9 | 4.2 |
| Completeness [%] | 92.0 * | 78 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 20 * | lithium chloride, sodium azide, citric acid, 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 | 0.3-0.6 (M) | ||
| 3 | 1 | drop | 1 (mM) | ||
| 4 | 1 | drop | beta-octylglucoside | 0.33 (%(w/v)) | pH6.5 |
| 5 | 1 | reservoir | sodium citrate | 0.64-0.84 (M) | |
| 6 | 1 | reservoir | 0.3-0.6 (M) | ||
| 7 | 1 | reservoir | 1 (mM) |
