4IPL

The crystal structure of 6-phospho-beta-glucosidase BglA-2 from Streptococcus pneumoniae

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	2011-12-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	183.280, 65.350, 126.690
Unit cell angles	90.00, 133.38, 90.00

Refinement procedure

Resolution	31.672 - 2.004
R-factor	0.1794
Rwork	0.177
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.159
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	72464
Completeness [%]	98.8	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	15% polyethylene glycol 5000MME, 0.1 M sodium citrate tribasic dehydrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K