6TAO
The cytotoxin MakE from Vibrio cholerae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.929, 94.936, 63.636 |
Unit cell angles | 90.00, 110.35, 90.00 |
Refinement procedure
Resolution | 49.175 - 1.980 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.23500 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | CRANK2 |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.175 | 49.170 | 2.050 |
High resolution limit [Å] | 1.980 | 7.670 | 1.980 |
Rmerge | 0.097 | 0.031 | 1.134 |
Rmeas | 0.110 | 0.036 | 1.291 |
Rpim | 0.051 | 0.016 | 0.608 |
Total number of observations | 3396 | 18789 | |
Number of reflections | 44118 | 787 | 4288 |
<I/σ(I)> | 9.6 | 35.9 | 1.2 |
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 4.5 | 4.3 | 4.4 |
CC(1/2) | 0.998 | 0.999 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 10 mM Nickel chloride, 0.1 M Tris pH 8.5, 20% PEG2000MME |