5MDR
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi in complex with chitohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.007270 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 146.552, 121.941, 147.155 |
Unit cell angles | 90.00, 117.92, 90.00 |
Refinement procedure
Resolution | 130.020 - 1.900 |
R-factor | 0.17206 |
Rwork | 0.172 |
R-free | 0.18350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mdo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.624 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 130.020 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.062 | 0.682 |
Rpim | 0.056 | 0.598 |
Number of reflections | 357447 | |
<I/σ(I)> | 11 | 1.8 |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% (w/v) PEG 400, 0.05 M NaCl, 0.1 M sodium citrate pH 5.5 |