5DZA

Streptococcus agalactiae AgI/II polypeptide BspA C terminal domain (WT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.920
Spacegroup name	C 2 2 21
Unit cell lengths	34.030, 205.800, 120.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 2.190
R-factor	0.21907
Rwork	0.218
R-free	0.23885
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.800
Phasing software	MOLREP (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.140	2.260
High resolution limit [Å]	2.190	2.190
Rmerge	0.085	0.451
Number of reflections	19496
<I/σ(I)>	9.7
Completeness [%]	92.3
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.02 M sodium/potassium phosphate and 20% (w/v) PEG 3350