2REW
Crystal Structure of PPARalpha ligand binding domain with BMS-631707
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 78.264, 78.264, 98.715 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.660 - 2.350 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Previously determined in house PPARalpha LBD structure |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.719 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.533 |
| Number of reflections | 28240 | |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
