8CUB

Crystal Structure of ABCG5/G8 in Complex with Cholesterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2015-11-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	I 2 2 2
Unit cell lengths	173.268, 230.110, 249.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.910 - 4.050
R-factor	0.2492
Rwork	0.246
R-free	0.30290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jr7
RMSD bond length	0.005
RMSD bond angle	0.930
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.910	4.195
High resolution limit [Å]	4.050	4.051
Rmerge		5.094
Number of reflections	50917	915
<I/σ(I)>	5.9	1.41
Completeness [%]	84.0	22.75
Redundancy	11.2
CC(1/2)	0.377	0.137

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	1.8-2.0 M ammonium sulfate, 100 mM MES, pH 6.5, 2-5% PEG400, 1 mM TCEP