6IJR

Human PPARgamma ligand binding domain complexed with SB1495

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	2017-05-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	62.359, 62.451, 162.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.23754
Rwork	0.236
R-free	0.26601
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gto
RMSD bond length	0.009
RMSD bond angle	1.468
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.850	2.850
Number of reflections	15503
<I/σ(I)>	28.7
Completeness [%]	99.5
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	60% (v/v) Tacsimate