6K9M

Human LXR-beta in complex with an agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	66.863, 105.356, 150.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.900
R-factor	0.24479
Rwork	0.243
R-free	0.27963
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jio
RMSD bond length	0.006
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.106	0.723
Number of reflections	23587	4346
<I/σ(I)>	23.12
Completeness [%]	97.7	98.6
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	22% PEG3350, 0.1 M Tris HCl, pH8.5