6G6U

The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 2.7 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-02-19
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	51.400, 58.150, 122.720
Unit cell angles	90.00, 94.03, 90.00

Refinement procedure

Resolution	122.420 - 2.740
R-factor	0.2571
Rwork	0.256
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emn
RMSD bond length	0.020
RMSD bond angle	2.101
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	122.420	122.420	2.810
High resolution limit [Å]	2.740	12.260	2.740
Rmerge	0.068	0.020	0.641
Rmeas	0.082	0.024	0.762
Total number of observations	61005
Number of reflections	19091	227	1406
<I/σ(I)>	12.16	40.46	2.01
Completeness [%]	99.1	93	99.9
Redundancy	3.195	2.947	3.337
CC(1/2)	0.999	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	25.5% precipitant mix 4 [25% (v/v) MPD, 25% (w/v) PEG 1000, 25% (w/v) PEG 3350], 0.06 M NH4NO3, 0.1 buffer system 1 [imidazole and MES adjusted to pH 6.5]