3PO9
Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-09-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0723 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.406, 61.747, 118.659 |
| Unit cell angles | 90.00, 102.91, 90.00 |
Refinement procedure
| Resolution | 33.320 - 2.350 |
| R-factor | 0.2042 |
| Rwork | 0.201 |
| R-free | 0.26920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 115.659 | 39.467 | 2.480 |
| High resolution limit [Å] | 2.350 | 7.430 | 2.350 |
| Rmerge | 0.046 | 0.022 | 0.169 |
| Total number of observations | 1773 | 8640 | |
| Number of reflections | 26894 | ||
| <I/σ(I)> | 14.8 | 25.2 | 3.4 |
| Completeness [%] | 97.2 | 72.3 | 88.9 |
| Redundancy | 2.8 | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.2M tri-sodium citrate, 100mM Hepes, 3.5% 1,2-propanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
