9F7L

Bartonella henselae NrnC bound to deoxy-pGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033200
Spacegroup name	P 1 21 1
Unit cell lengths	71.334, 128.047, 128.710
Unit cell angles	90.00, 94.82, 90.00

Refinement procedure

Resolution	47.570 - 2.200
R-factor	0.1764
Rwork	0.176
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.810
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.570	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.783
Rpim	0.039	0.488
Number of reflections	115114	11364
<I/σ(I)>	13.36
Completeness [%]	98.6
Redundancy	3.6
CC(1/2)	0.999	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.1 M succinic acid (pH 6.5), 20% PEG 3350, and 20% xylitol