3OSW
Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-07-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.089, 61.693, 118.458 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 45.396 - 2.550 |
| R-factor | 0.1953 |
| Rwork | 0.193 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.144 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.536 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.068 | 0.435 |
| Number of reflections | 20878 | |
| <I/σ(I)> | 9.5 | 2.1 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1M tri-sodium citrate, 100 mM Hepes, 3.5% 1,2-propanediol, 0.2 mM TBBPA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
