6ZLY

Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.973
Spacegroup name	C 1 2 1
Unit cell lengths	92.890, 60.070, 118.020
Unit cell angles	90.00, 103.34, 90.00

Refinement procedure

Resolution	57.418 - 1.790
R-factor	0.2368
Rwork	0.234
R-free	0.28040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qj5
RMSD bond length	0.008
RMSD bond angle	1.288
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.418	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.056	1.138
Number of reflections	57534	3404
<I/σ(I)>	7.9
Completeness [%]	96.5
Redundancy	3.2
CC(1/2)	0.998	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.8 M SODIUM CITRATE, 0.15 M TRIS, PH 8.0