3EE2
Structure of human prostaglandin D-synthase (hGSTS1-1) in complex with nocodazole
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 | 2006-11-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.220, 79.359, 107.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.970 - 1.910 |
| R-factor | 0.18587 |
| Rwork | 0.183 |
| R-free | 0.23195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cvd |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.779 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.645 |
| Number of reflections | 28391 | |
| <I/σ(I)> | 18.56 | 2.32 |
| Completeness [%] | 87.9 | 83.6 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% (w/v) PEG 6000, 25mM MgCL2, 100mM Tris-HCl pH 7.5, 1% (w/v) dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
