5XDN

Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 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	2013-04-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	58.700, 84.960, 146.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.860 - 3.150
R-factor	0.2673
Rwork	0.266
R-free	0.29980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emn
RMSD bond length	0.007
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.860	45.860	3.230
High resolution limit [Å]	3.150	14.090	3.150
Rmerge	0.385	0.280	1.369
Rmeas	0.406	0.301	1.438
Total number of observations	122979
Number of reflections	12096	166	956
<I/σ(I)>	4.4	8.79	1.41
Completeness [%]	91.2	86	99.5
Redundancy	10.167	8.416	10.592
CC(1/2)	0.946	0.964	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	36% PEG300, 0.1 M MES (pH 6.5), 0.1 M NaCl