5L11

Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 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]	80
Detector technology	CCD
Collection date	2014-10-10
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	46.418, 46.418, 220.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.491 - 1.849
R-factor	0.2011
Rwork	0.198
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3plz
RMSD bond length	0.004
RMSD bond angle	0.578
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	1.920
High resolution limit [Å]	1.849	3.990	1.850
Rmerge	0.094	0.069	0.582
Number of reflections	21130
<I/σ(I)>	10.6
Completeness [%]	96.8	99.2	86.1
Redundancy	8.9	10.5	6.8
CC(1/2)		0.997	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.05 M Sodium Acetate, pH 4.6, PEG 4000 5-11%, glycerol 5-10%