5GTN

Human PPARgamma ligand binding dmain complexed with R35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	131.650, 52.454, 54.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.20594
Rwork	0.205
R-free	0.23165
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vn2
RMSD bond length	0.011
RMSD bond angle	1.488
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge		0.437
Number of reflections	32794
<I/σ(I)>	39.5	3
Completeness [%]	99.7	100
Redundancy	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	57.5% (v/v) Tacsimate pH7.0