2VYU

CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE IN THE PRESENCE OF A PEPTIDOGLYCAN ANALOGUE (TETRASACCHARIDE-PENTAPEPTIDE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	45.060, 112.730, 79.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.840 - 2.450
R-factor	0.198
Rwork	0.198
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v05
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	2.690
High resolution limit [Å]	2.450	2.450
Rmerge	0.190	0.560
Number of reflections	26724
<I/σ(I)>	9.7	7.9
Completeness [%]	84.0	87
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1