8VTZ
Crystal structure of Aquifex aeolicus Trbp111
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.002, 82.221, 88.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.400 - 2.300 |
R-factor | 0.2165 |
Rwork | 0.214 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.491 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.400 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.041 | 0.119 |
Number of reflections | 9724 | 930 |
<I/σ(I)> | 9.53 | 1.79 |
Completeness [%] | 99.7 | |
Redundancy | 18.6 | |
CC(1/2) | 0.996 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294.15 | 0.2 M lithium sulfate monohydrate, 0.1 M Tris-HCl pH 8.5 and 25% PEG 3350 |