8BF1

High-resolution structure of unliganded PPAR gamma in complex with the peptide PGC-1 alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	43.706, 54.209, 66.089
Unit cell angles	90.00, 106.73, 90.00

Refinement procedure

Resolution	41.170 - 1.360
R-factor	0.1682
Rwork	0.168
R-free	0.18110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6ms7
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.290	63.290	1.390
High resolution limit [Å]	1.360	7.470	1.360
Rmerge	0.070	0.058	0.871
Rmeas	0.076	0.065	1.143
Rpim	0.029	0.028	0.728
Total number of observations	388613	2220	2843
Number of reflections	60971	399	1340
<I/σ(I)>	12.4	28	1
Completeness [%]	96.6	95.4	43.2
Redundancy	6.4	5.6	2.1
CC(1/2)	0.998	0.991	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.1 M Bis-Tris pH 6.5 0.2 M ammonium acetate 0.01 M gunidine hydrochloride