6G73

The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 3.3 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-05-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96600
Spacegroup name	P 1 21 1
Unit cell lengths	60.220, 83.360, 156.930
Unit cell angles	90.00, 90.59, 90.00

Refinement procedure

Resolution	19.940 - 3.270
R-factor	0.2394
Rwork	0.237
R-free	0.29830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emn
RMSD bond length	0.012
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	20.000	3.600
High resolution limit [Å]	3.300	19.940	3.300
Rmerge	0.161	0.053	0.774
Rmeas	0.176	0.063	0.847
Total number of observations	143645
Number of reflections	23523	112	5356
<I/σ(I)>	6.49	16.89	1.96
Completeness [%]	99.5	96.6	99.6
Redundancy	6.107	3.652	6.082
CC(1/2)	0.998	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292.2	25.5% Precipitant mix 4 [precipitant mix 4 consists of 25% (v/v) MPD, 25% (w/v) PEG1000, 25% (w/v) PEG3350], 0.06M NaNO3, 0.08M K2HPO4, 0.1M Buffer System2 [HEPES and MOPS adjusted to pH 7.5]