4FF5

Structure basis of a novel virulence factor GHIP a glycosyl hydrolase 25 of Streptococcus pneumoniae participating in host cell invasion

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	2010-05-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	36.460, 40.880, 147.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.860
R-factor	0.18317
Rwork	0.180
R-free	0.24420
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.361
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.630
High resolution limit [Å]	1.850	2.400
Rmerge	0.029	0.052
Number of reflections	19741
<I/σ(I)>	14.5	8670
Completeness [%]	95.1	97.8
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.31	293	26% polyethylene glycol (PEG) 3350,0.2 M lithium citrate,Bis-Tris pH 7.31, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.31	293	26% polyethylene glycol (PEG) 3350,0.2 M lithium citrate,Bis-Tris pH 7.31, VAPOR DIFFUSION, HANGING DROP, temperature 293K