5GTO

Human PPARgamma ligand binding dmain complexed with S35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00002
Spacegroup name	P 21 21 2
Unit cell lengths	131.823, 53.286, 53.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.21237
Rwork	0.211
R-free	0.24247
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vn2
RMSD bond length	0.010
RMSD bond angle	1.482
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge		0.591
Number of reflections	22810
<I/σ(I)>	41.1	3.6
Completeness [%]	99.5	100
Redundancy	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	2.2 M sodium malonate (pH 7.0)