7MPO

Bartonella henselae NrnC bound to pAp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0001
Spacegroup name	P 21 21 21
Unit cell lengths	99.676, 141.688, 147.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.230 - 1.950
R-factor	0.1646
Rwork	0.164
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.006
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3471)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.230	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	153174	15073
<I/σ(I)>	14.04
Completeness [%]	99.9	99.9
Redundancy	7.4
CC(1/2)	0.999	0.877

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