9QJG

CA domain of LvrB from Leptospira with bound ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000039
Spacegroup name	P 21 21 21
Unit cell lengths	50.132, 54.899, 135.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 1.600
R-factor	0.2056
Rwork	0.204
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.710	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.093	0.780
Rmeas	0.096	0.810
Rpim	0.027	0.220
Number of reflections	50363	4979
<I/σ(I)>	26.2	6.73
Completeness [%]	99.9	99.9
Redundancy	13.2	13.6
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	50 mM Tris, 100 mM MgCl2, 15% PEG 4000