4BCR
Structure of PPARalpha in complex with WY14643
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.061, 62.359, 180.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.479 - 2.497 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.350 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.560 | 2.650 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 22365 | |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 89.9 | 98.7 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM TRIS-HCL PH 7.5, 25% PEG 20 K |
