7SQA

PPAR gamma LBD bound to SR10221 and SMRT corepressor motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	61.143, 59.700, 92.938
Unit cell angles	90.00, 105.99, 90.00

Refinement procedure

Resolution	41.884 - 2.499
R-factor	0.2366
Rwork	0.234
R-free	0.28550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pdz
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.870	43.870	2.600
High resolution limit [Å]	2.499	9.010	2.500
Rmerge	0.141	0.046	1.158
Rmeas	0.169	0.055	1.373
Rpim	0.092	0.030	0.731
Total number of observations		1656	8376
Number of reflections	22167	500	2494
<I/σ(I)>	4.5	15.7	0.8
Completeness [%]	98.2	95.7	98.6
Redundancy	3.3	3.3	3.4
CC(1/2)	0.991	0.995	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	28% PEG 8,000, 0.1M Ammonium sulphate, 0.1M MES pH 6.5