5DV8

Human PPARgamma ligand binding dmain complexed with SB1451 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	2015-06-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	55.270, 131.296, 51.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.750
R-factor	0.19436
Rwork	0.192
R-free	0.24311
RMSD bond length	0.010
RMSD bond angle	1.434
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	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	10377
<I/σ(I)>	25.2	3.97
Completeness [%]	99.7	100
Redundancy	5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.19M sodium acetate trihydrate, 0.1M sodium cacodylate pH 6.5, 26% PEG 8000