5UNJ

Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100

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	2015-06-18
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	66.180, 84.027, 45.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.014 - 1.959
R-factor	0.2012
Rwork	0.199
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l11
RMSD bond length	0.003
RMSD bond angle	0.489
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.099	0.071	0.384
Rmeas	0.108	0.077	0.425
Rpim	0.042	0.030	0.176
Total number of observations	111677
Number of reflections	18170
<I/σ(I)>	7
Completeness [%]	96.8	99.9	83.8
Redundancy	6.1	6.7	5
CC(1/2)		0.996	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.05M Sodium acetate, pH 4.6; PEG4000 14%, glycerol 15-21%