5DZ8

Streptococcus agalactiae AgI/II polypeptide BspA variable (V) domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.97935
Spacegroup name	C 1 2 1
Unit cell lengths	148.140, 34.420, 92.600
Unit cell angles	90.00, 127.31, 90.00

Refinement procedure

Resolution	73.650 - 2.410
R-factor	0.17959
Rwork	0.177
R-free	0.23229
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.779
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.650	2.540
High resolution limit [Å]	2.410	2.410
Rmerge	0.059	0.140
Number of reflections	14728
<I/σ(I)>	19.9
Completeness [%]	99.6
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Buffer System 1 at pH 6.5 (MES, imidazole), 0.1 M amino acids and 37.5% MPD_P1K_P3350 (Morpheus screen, Molecular Dimensions Ltd)