8ADF
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-28 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967697 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.878, 59.954, 117.370 |
Unit cell angles | 90.00, 103.29, 90.00 |
Refinement procedure
Resolution | 57.110 - 2.130 |
R-factor | 0.2187 |
Rwork | 0.216 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b0r |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.150 | 2.190 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 40051 | 2359 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 94.5 | |
Redundancy | 2.4 | |
CC(1/2) | 0.931 | 0.348 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.8 M SODIUM CITRATE, 0.15 M TRIS, PH 8.0 |