5BOB

Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	127.075, 77.341, 131.642
Unit cell angles	90.00, 115.93, 90.00

Refinement procedure

Resolution	39.460 - 1.500
R-factor	0.1625
Rwork	0.161
R-free	0.18920
Structure solution method	SAD
RMSD bond length	0.030
RMSD bond angle	2.384
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.063	0.031	0.950
Rmeas	0.063	0.033
Rpim	0.025	0.012	0.380
Total number of observations	2610781
Number of reflections	169683
<I/σ(I)>	10.6
Completeness [%]	97.4	99.1	95.6
Redundancy	7.4	7.5	7.2
CC(1/2)		0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 4000, Sodium citrate tribasic