6ZZ9

Crystal structure of CbpB from Streptococcus agalactiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.071600
Spacegroup name	P 43 21 2
Unit cell lengths	60.610, 60.610, 190.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 2.644
R-factor	0.2341
Rwork	0.233
R-free	0.25230
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	2.739
High resolution limit [Å]	2.644	2.644
Rmerge	0.067	1.346
Rmeas	0.077	1.538
Rpim	0.036	0.738
Number of reflections	11037	1030
<I/σ(I)>	10.76
Completeness [%]	98.9	96.34
Redundancy	4.3	4.2
CC(1/2)	0.996	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	200 mM ammonium sulfate, 100 mM MES pH 6.5, 30% w/v PEG MME 5000