3VE2

The 2.1 angstrom crystal structure of Transferrin binding protein B (TbpB) from serogroup B M982 Neisseria meningitidis

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 2 2 21
Unit cell lengths	46.604, 149.336, 199.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.383 - 2.140
R-factor	0.1723
Rwork	0.171
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.105
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.073	0.024	0.646
Number of reflections	76520
<I/σ(I)>	8.5
Completeness [%]	93.4	86.6	95
Redundancy	2.9	3.1	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1M sodium citrate pH 4.5, 1.85M Ammonium sulfate, vapor diffusion, hanging drop, temperature 20K, temperature 293K