4XUH
PPARgamma ligand binding domain in complex with sulindac sulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.770, 63.630, 119.650 |
| Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
| Resolution | 44.818 - 2.220 |
| R-factor | 0.1888 |
| Rwork | 0.186 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sz1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.820 | 2.310 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.530 | |
| Number of reflections | 34907 | |
| <I/σ(I)> | 16.1 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% (w/v) PEG 6000 and 0.1 M Tris-HCl pH 8.5. |
