1U67
Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that Forms Predominantly 11-HPETE.
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 | 2002-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.999872 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 181.879, 181.879, 103.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.227 |
| Rwork | 0.238 |
| R-free | 0.31100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1diy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| 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 | 0.320 | |
| Number of reflections | 18564 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.1 | |
| Redundancy | 13.9 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 273 | Sodium Citrate, Lithium Chloride, Sodium Azide, N-Octyl Glucoside, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
