8QLJ

Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with an unknown peptide

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	2018-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	49.433, 113.458, 58.729
Unit cell angles	90.00, 107.52, 90.00

Refinement procedure

Resolution	43.532 - 1.650
R-factor	0.1572
Rwork	0.155
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
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]	43.532	1.700
High resolution limit [Å]	1.650	1.650
Rmerge	0.089	0.704
Number of reflections	72522	3496
<I/σ(I)>	10.1
Completeness [%]	98.1
Redundancy	4.8
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M Sodium Acetate, 8% 2-Propanol and 21% PEG4000