9HX2

X-ray crystal structure of PPAR gamma Ligand Binding Domain in complex with CZ58

This is a non-PDB format compatible entry.

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	2023-07-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	93.196, 61.182, 118.200
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	50.780 - 2.850
R-factor	0.2296
Rwork	0.224
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.673
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	AMoRE
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.780	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.174
Rmeas	0.210
Number of reflections	15066	763
<I/σ(I)>	3.5
Completeness [%]	97.4
Redundancy	3
CC(1/2)	0.978	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.8 M SODIUM CITRATE, 0.15 M TRIS, pH 8.0