5DZ9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	38.090, 48.240, 234.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.530 - 1.890
R-factor	0.19693
Rwork	0.195
R-free	0.24078
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2woy
RMSD bond length	0.019
RMSD bond angle	1.817
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.530	1.940
High resolution limit [Å]	1.890	1.890
Rmerge	0.110	0.835
Number of reflections	35603
<I/σ(I)>	17.2
Completeness [%]	99.4
Redundancy	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MMT buffer (1:2:2 L-Malic acid, MES, Tris-HCl pH 6.0) and 25% (w/v) PEG1500