7QOC

Se-Met derivative structure of a small alarmone hydrolase (RelH) from Corynebacterium glutamicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97624
Spacegroup name	P 63
Unit cell lengths	96.010, 96.010, 80.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.010 - 2.300
R-factor	0.1928
Rwork	0.192
R-free	0.21540
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS (20190315)
Data scaling software	XDS (20190315)
Phasing software	CRANK2 (2.0.191)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.004	48.004	2.440
High resolution limit [Å]	2.300	6.840	2.300
Rmerge	0.052	0.026	1.582
Rmeas	0.057	0.028	1.735
Total number of observations	219291
Number of reflections	36896	1395	5953
<I/σ(I)>	15.1	59.55	0.85
Completeness [%]	99.9	99.6	99.9
Redundancy	5.943	6.068	5.935
CC(1/2)	0.999	0.999	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293.15	1 M ammonium phosphate dibasic, 0.1 M Sodium acetate pH 4.5