5DVC

Human PPARgamma ligand binding dmain complexed with SB1453 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	2015-03-31
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97935
Spacegroup name	P 21 21 2
Unit cell lengths	54.858, 130.281, 52.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.19867
Rwork	0.196
R-free	0.24100
RMSD bond length	0.010
RMSD bond angle	1.498
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	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	17551
<I/σ(I)>	36.94	5.2
Completeness [%]	99.7	100
Redundancy	5.8	5.9

Crystallization Conditions

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