8QLG

Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1

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	2020-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	52.038, 67.089, 109.448
Unit cell angles	84.05, 87.26, 71.72

Refinement procedure

Resolution	45.266 - 2.100
R-factor	0.1928
Rwork	0.191
R-free	0.22690
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]	46.630	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.100	0.820
Number of reflections	94495	4650
<I/σ(I)>	7.3
Completeness [%]	97.1
Redundancy	3.5
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	150 mM Zn Acetate, 10% PEG8000, 0.1 M MES pH=6.5