6VZM

Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	93.071, 61.591, 120.527
Unit cell angles	90.00, 102.17, 90.00

Refinement procedure

Resolution	33.415 - 2.400
R-factor	0.222
Rwork	0.217
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.009
RMSD bond angle	1.167
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.415	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.024	0.361
Rmeas	0.035
Rpim	0.024	0.361
Number of reflections	25861	2552
<I/σ(I)>	13.59
Completeness [%]	98.2	98.76
Redundancy	2	2
CC(1/2)	0.999	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.1M MOPS, pH 7.4, 0.8M SODIUM CITRATE