3VE1

The 2.9 angstrom crystal structure of Transferrin binding protein B (TbpB) from serogroup B M982 Neisseria meningitidis in complex with human transferrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	128.023, 153.509, 169.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.928 - 2.956
R-factor	0.2087
Rwork	0.207
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.409
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.115	0.049	0.640
Number of reflections	70285
<I/σ(I)>	9.5
Completeness [%]	100.0	99.9	100
Redundancy	10.5	9.8	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium cacodylate pH 6.5, 14% PEG 3350, 0.1M sodium malonate, and 20% glycerol, vapor diffusion, hanging drop, temperature 293K