5XDO

Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in C222 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	121.620, 146.330, 77.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.848 - 3.100
R-factor	0.2575
Rwork	0.255
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emn
RMSD bond length	0.001
RMSD bond angle	0.441
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.848	47.848	3.180
High resolution limit [Å]	3.100	13.860	3.100
Rmerge	0.198	0.033	2.707
Rmeas	0.209	0.036	2.863
Total number of observations	134064
Number of reflections	24183	171	934
<I/σ(I)>	10.26	40.36	0.9
Completeness [%]	99.9	96.1	99.9
Redundancy	10.377	8.123	9.658
CC(1/2)	0.999	1.000	0.301

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	45% PEG300, 0.1 M HEPES (pH 7.0), 0.15 M NaCl, 11 mM spermidine