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] |