7VU1
Chitoporin from Escherichia coli complex with chitohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2016-09-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97883 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.737, 58.551, 133.059 |
Unit cell angles | 90.00, 110.71, 90.00 |
Refinement procedure
Resolution | 62.340 - 1.900 |
R-factor | 0.2109 |
Rwork | 0.209 |
R-free | 0.24820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7vtz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.250 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.500 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 107599 | 5303 |
<I/σ(I)> | 4.8 | |
Completeness [%] | 99.7 | |
Redundancy | 3.8 | |
CC(1/2) | 0.974 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30-35% PEG 400, 0.1 M Hepes pH 7.5 |