7JRD

The crystal structure of lactoferrin binding protein B (LbpB) from Neisseria meningitidis in complex with human lactoferrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	120.388, 120.388, 207.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.850
R-factor	0.2036
Rwork	0.201
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u9c 2bjj
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.850	2.850
Rpim	0.091	1.022
Number of reflections	36195	3547
<I/σ(I)>	14	1.33
Completeness [%]	99.9
Redundancy	8.9
CC(1/2)	0.985	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.3 M ammonium sulphate, 60 mM Tris pH 8.5