5SYZ

Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-21
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	46.312, 46.312, 219.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.423 - 1.926
R-factor	0.2063
Rwork	0.205
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l11
RMSD bond length	0.004
RMSD bond angle	0.588
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.926	4.160	1.930
Rmerge	0.074	0.056	0.687
Number of reflections	19170
<I/σ(I)>	11
Completeness [%]	99.7	99.4	97.9
Redundancy	11.1	12.1	8.2
CC(1/2)		0.998	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium acetate, PEG4000, glycerol