8QLC

Crystal structure of the pneumococcal Substrate-binding protein AliD in open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	57.241, 93.003, 111.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.748 - 1.800
R-factor	0.1777
Rwork	0.176
R-free	0.21140
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.750	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.087	1.089
Number of reflections	64025	3371
<I/σ(I)>	16.2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M MgCl2, 23% PEG3350 and 0.1 M Tris-HCl pH=8.0.