6D8X
PPAR gamma LBD complexed with the agonist GW1929
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-02 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.934, 61.934, 167.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.305 - 1.900 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tto |
RMSD bond length | 0.003 |
RMSD bond angle | 0.596 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.305 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.650 | |
Number of reflections | 26487 | 2520 |
<I/σ(I)> | 13.5 | 2.3 |
Completeness [%] | 99.2 | 97.3 |
Redundancy | 8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 200mM tri-Lithium Citrate 20% (w/v) PEG 3350 |