3WMH
Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.249, 61.113, 119.280 |
| Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
| Resolution | 44.450 - 2.100 |
| R-factor | 0.2168 |
| Rwork | 0.215 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vso |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.993 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.450 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.053 | 0.362 |
| Number of reflections | 38348 | |
| <I/σ(I)> | 19.7 | 2.68 |
| Completeness [%] | 98.8 | 93.2 |
| Redundancy | 5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M SODIUM CITRATE, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
