6C5Q

PPARg LBD bound to SR10171

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	CCD
Collection date	2016-10-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 65 2 2
Unit cell lengths	65.190, 65.190, 368.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.296 - 2.404
R-factor	0.2502
Rwork	0.249
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r06
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.690	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.322	4.038
Rmeas	0.330	4.132
Rpim	0.067	0.818
Total number of observations		39175
Number of reflections	19263	1943
<I/σ(I)>	7.6	0.7
Completeness [%]	99.4	99.2
Redundancy	19.4	20.2
CC(1/2)	0.995	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	4M ammonium acetate, O.1M bis-tris propane 7.0