6S4T

LXRbeta ligand binding domain in comlpex with small molecule inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	135.275, 135.275, 69.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.017 - 2.000
Rwork	0.205
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.321
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0135 2015/10/01)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.800	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	22128	3155
<I/σ(I)>	5.5
Completeness [%]	99.8
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	100 mM Bis-Tris pH 6.5, 2 M sodium formate and 100 mM NaCl