3PEQ
PPARd complexed with a phenoxyacetic acid partial agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.472, 95.535, 96.537 |
Unit cell angles | 90.00, 97.76, 90.00 |
Refinement procedure
Resolution | 30.260 - 2.400 |
R-factor | 0.20064 |
Rwork | 0.199 |
R-free | 0.23667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.053 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.260 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.075 | 0.430 |
Number of reflections | 25794 | |
<I/σ(I)> | 17 | 2 |
Completeness [%] | 97.0 | 94.8 |
Redundancy | 3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 100 mM potassium iodide, 20% PEG3350, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |