8ZFN

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	92.186, 61.991, 118.841
Unit cell angles	90.00, 102.38, 90.00

Refinement procedure

Resolution	58.038 - 2.540
R-factor	0.2502
Rwork	0.247
R-free	0.32140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.215
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.038	2.631
High resolution limit [Å]	2.540	2.540
Rmerge	0.088
Rmeas	0.095
Rpim	0.037
Number of reflections	21761	2157
<I/σ(I)>	12.06
Completeness [%]	98.1	96.97
Redundancy	6.6	6.4
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.8M SODIUM CITRATE, 100mM MOPS, pH 7.6