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