4CUB

Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	70.530, 70.530, 161.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.620 - 2.100
R-factor	0.19242
Rwork	0.190
R-free	0.24718
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.363
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.150	0.410
Number of reflections	24686
<I/σ(I)>	9.5	4.7
Completeness [%]	100.0	100
Redundancy	9	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291