5MDS
Crystal structure of outer membrane expressed Chitoporin VhChip from Vibrio harveyi in complex with chitotetraose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 250.010, 145.047, 55.158 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 125.350 - 2.600 |
R-factor | 0.22201 |
Rwork | 0.221 |
R-free | 0.24749 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mdo |
RMSD bond length | 0.018 |
RMSD bond angle | 2.085 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.350 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.777 |
Rpim | 0.081 | 0.699 |
Number of reflections | 56059 | |
<I/σ(I)> | 8.4 | 1.1 |
Completeness [%] | 93.4 | 95.1 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% (w/v) PEG 400, 0.2 M sodium acetate, 0.1 M MES pH 6.5 |