6DBH

Crystal structure of PPAR gamma in complex with NMP422

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.19
Spacegroup name	C 1 2 1
Unit cell lengths	92.942, 62.189, 120.083
Unit cell angles	90.00, 102.57, 90.00

Refinement procedure

Resolution	30.050 - 2.597
R-factor	0.2104
Rwork	0.205
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tto
RMSD bond length	0.003
RMSD bond angle	0.584
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.050	2.640
High resolution limit [Å]	2.597	2.597
Rmeas	0.090	0.650
Number of reflections	20553	1893
<I/σ(I)>	15.7
Completeness [%]	98.5	91.6
Redundancy	5.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.0M Sodium citrate