7MPP

Bartonella henselae NrnC cleaving pGG in the presence of Mg2+

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)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	70.929, 126.734, 127.145
Unit cell angles	90.00, 94.28, 90.00

Refinement procedure

Resolution	126.790 - 2.000
R-factor	0.1584
Rwork	0.158
R-free	0.18720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	126.800	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	148330	14541
<I/σ(I)>	18.57
Completeness [%]	98.1
Redundancy	4.2
CC(1/2)	0.992	0.444

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 MgCl2 (soak)