8ZNN

X-ray structure of human PPAR delta ligand binding domain in complex with a synthetic agonist 16a

This is a non-PDB format compatible entry.

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	2023-11-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 2 21 21
Unit cell lengths	37.228, 93.553, 95.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
Rwork	0.190
R-free	0.22700
Structure solution method	SIR
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.950
Number of reflections	25471	1844
<I/σ(I)>	29.23
Completeness [%]	100.0
Redundancy	12.24
CC(1/2)	0.993	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.5M sodium citrate, pH 5.5, 19 % PEG 3350, 20% glycerol