7OHG
Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-02 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 88.121, 88.121, 182.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.120 - 2.507 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s2v |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.120 | 2.858 |
High resolution limit [Å] | 2.507 | 2.507 |
Rmerge | 0.156 | 1.048 |
Rpim | 0.033 | 0.316 |
Number of reflections | 14157 | 707 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 94.0 | |
Redundancy | 23 | |
CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.16 | 8 % w/v PEG 20000; 0.05 M Tris 8.5; 1.2 M Sodium formate |