8HF8
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.795, 92.966, 96.715 |
Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
Resolution | 32.260 - 2.110 |
R-factor | 0.2005 |
Rwork | 0.199 |
R-free | 0.22960 |
Structure solution method | SIR |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.170 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.123 | 0.123 |
Number of reflections | 37883 | |
<I/σ(I)> | 16.5 | |
Completeness [%] | 95.0 | |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.5M sodium citrate, pH 5.5, 19 % PEG 3350, 20% glycerol |