8QM0

Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with Peptide 5

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 21 1
Unit cell lengths	56.651, 206.756, 96.795
Unit cell angles	90.00, 90.76, 90.00

Refinement procedure

Resolution	49.173 - 1.760
R-factor	0.1586
Rwork	0.157
R-free	0.19830
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]	49.173	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.096
Number of reflections	213511	10351
<I/σ(I)>	12.7
Completeness [%]	97.5
Redundancy	6.9
CC(1/2)	0.998	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Citric Acid and 25% PEG3350