3UAQ

Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	42.599, 83.928, 98.589
Unit cell angles	90.00, 101.11, 90.00

Refinement procedure

Resolution	33.033 - 2.932
R-factor	0.2226
Rwork	0.220
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hol
RMSD bond length	0.005
RMSD bond angle	0.933
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.800	35.000	3.060
High resolution limit [Å]	2.900	6.340	2.900
Rmerge	0.115	0.068	0.351
Number of reflections	14327
<I/σ(I)>	7.5
Completeness [%]	98.6	96.4	99.6
Redundancy	3.3	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	PEG 6000, pH 8.5, vapor diffusion, temperature 298K