5DSH

Human PPARgamma ligand binding dmain complexed with SB1406 in a covalent bonded form

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	2014-12-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	53.330, 131.332, 52.852
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.20703
Rwork	0.205
R-free	0.25743
RMSD bond length	0.009
RMSD bond angle	1.470
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	3.000
High resolution limit [Å]	2.950	2.950
Number of reflections	8258
<I/σ(I)>	38.2	4.6
Completeness [%]	99.3	100
Redundancy	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	2.2M sodium malonate pH 7.0