7QOE

Structure of a small alarmone hydrolase from Leptospira levettii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97624
Spacegroup name	P 42 21 2
Unit cell lengths	98.708, 98.708, 40.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 1.200
R-factor	0.1531
Rwork	0.152
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet RelH
Data reduction software	XDS (20190315)
Data scaling software	XDS (20190315)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.144	44.144	1.270
High resolution limit [Å]	1.200	3.590	1.200
Rmerge	0.068	0.045	3.948
Rmeas	0.071	0.047	4.172
Total number of observations	1147266
Number of reflections	118506	4443	19139
<I/σ(I)>	12.06	50.24	0.49
Completeness [%]	100.0	99.9	99.9
Redundancy	9.681	9.796	9.584
CC(1/2)	0.999	0.999	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.2 M sodium acetate trihydrate pH 7, 20% (w/v) PEG 3350