8HHP
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.500, 60.500, 162.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 2.450 |
R-factor | 0.2211 |
Rwork | 0.214 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vv3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.254 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.570 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 11599 | 11599 |
<I/σ(I)> | 18 | |
Completeness [%] | 99.2 | |
Redundancy | 6.4 | |
CC(1/2) | 0.998 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 0.1 M Tris-HCl pH 7.7, 0.75 M sodium citrate |