8BFF

Human PPARgamma in complex with MINCH bound to the AF-2 sub-pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 31
Unit cell lengths	92.181, 92.181, 89.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.830 - 2.600
R-factor	0.2975
Rwork	0.266
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ath 3b1m 6dha
RMSD bond length	0.005
RMSD bond angle	0.777
Data reduction software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.510	2.650
High resolution limit [Å]	2.600	2.600
Rmerge	0.180	7.145
Rmeas	0.191
Rpim		2.607
Number of reflections	26138	1318
<I/σ(I)>	8.8	0.4
Completeness [%]	99.7	99.2
Redundancy	9.8	8.3
CC(1/2)	0.998	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.1 M Tris-HCl pH 8.5 30% PEG 2000 0.2 M Lithium sulfate 0.01 M guanidine hydrochloride