8A42

Crystal structure of the pneumococcal Substrate-binding protein AmiA 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	2020-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	56.598, 102.702, 107.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.645 - 1.500
R-factor	0.1574
Rwork	0.156
R-free	0.17800
Structure solution method	AB INITIO PHASING
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.645	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.068	0.549
Rpim	0.026	0.218
Number of reflections	97923	4649
<I/σ(I)>	18.9
Completeness [%]	97.2
Redundancy	7.6
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	200 mM Amonium Sulfate and 20% PEG4000