5Y2T

Structure of PPARgamma ligand binding domain - lobeglitazone complex

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	2016-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	56.267, 88.485, 57.999
Unit cell angles	90.00, 89.83, 90.00

Refinement procedure

Resolution	36.786 - 1.700
R-factor	0.1938
Rwork	0.192
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ema
RMSD bond length	0.017
RMSD bond angle	1.018
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.735
High resolution limit [Å]	1.700	1.700
Rmerge	0.079	0.376
Rpim	0.038	0.178
Number of reflections	62190	3058
<I/σ(I)>	33.3	4.6
Completeness [%]	99.8	99.8
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	0.1M HEPES NaOH pH7.5, 17.5% PEG 8000, 10% DMSO