5MDO
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi (crystal form I)
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 | 2015-01-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 146.884, 123.379, 147.026 |
Unit cell angles | 90.00, 117.89, 90.00 |
Refinement procedure
Resolution | 129.940 - 1.950 |
R-factor | 0.16726 |
Rwork | 0.167 |
R-free | 0.18670 |
Structure solution method | SAD |
RMSD bond length | 0.021 |
RMSD bond angle | 1.859 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.970 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.072 | 0.854 |
Rpim | 0.046 | 0.543 |
Number of reflections | 336423 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.7 |
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 |