6AQK
Crystal structure of the C-terminal toxin domain of RHS2 from Yersinia entomophaga
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.07219 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.510, 54.520, 100.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.410 - 1.800 |
R-factor | 0.1834 |
Rwork | 0.181 |
R-free | 0.22580 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.824 |
Data reduction software | Aimless (0.5.32) |
Data scaling software | XSCALE (Jun 1, 2017 BUILT=20170720) |
Phasing software | SHELXDE (2016/1) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.410 | 50.410 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.107 | 0.046 | 2.095 |
Rmeas | 0.111 | 0.047 | 2.212 |
Total number of observations | 499693 | ||
Number of reflections | 18821 | 419 | 2674 |
<I/σ(I)> | 11.92 | 36.9 | 1 |
Completeness [%] | 99.8 | 99.8 | 97.7 |
Redundancy | 13.523 | 14.227 | 9.688 |
CC(1/2) | 0.999 | 0.999 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 29% PEG 2000 MME, 0.15 M KBr |