3B0R
Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-15 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.700, 59.801, 117.255 |
Unit cell angles | 90.00, 103.60, 90.00 |
Refinement procedure
Resolution | 19.690 - 2.150 |
R-factor | 0.20907 |
Rwork | 0.207 |
R-free | 0.24917 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.054 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.040 | 0.101 |
Number of reflections | 32277 | |
<I/σ(I)> | 18.2 | 9.9 |
Completeness [%] | 94.6 | 85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M sodium citrate, 0.1M Hepes (pH7.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |