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 |