7MPQ

Bartonella henselae NrnC cleaving pGG in the presence of Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.8917
Spacegroup name	P 1 21 1
Unit cell lengths	71.681, 127.799, 128.809
Unit cell angles	90.00, 94.87, 90.00

Refinement procedure

Resolution	128.340 - 2.350
R-factor	0.1639
Rwork	0.162
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.340	2.380
High resolution limit [Å]	2.350	2.350
Number of reflections	174471	12956
<I/σ(I)>	11
Completeness [%]	98.8
Redundancy	6.6
CC(1/2)	0.994	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1 M Succinic acid; 10% PEG 3,350; 20% xylitol, 5 mM MnCl2 (soak)