8FZ9
Crystal Structure of Bacillus cereus TIR protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 32.695, 38.285, 66.822 |
Unit cell angles | 102.27, 95.75, 101.91 |
Refinement procedure
Resolution | 36.370 - 1.780 |
R-factor | 0.1637 |
Rwork | 0.161 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.283 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.550 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.088 | 0.541 |
Rmeas | 0.108 | 0.663 |
Rpim | 0.061 | 0.378 |
Total number of observations | 81850 | 4421 |
Number of reflections | 27618 | 1513 |
<I/σ(I)> | 9.1 | 2.3 |
Completeness [%] | 94.2 | |
Redundancy | 3 | 2.9 |
CC(1/2) | 0.987 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.03 M Citric Acid, 0.07 M Bis-Tris, pH 7.6, 20% PEG 3,350 |