8F9L

Intramolecular ester bond-containing repeat domain from Gemella massiliensis adhesin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 21 21 21
Unit cell lengths	46.164, 63.037, 96.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.643 - 1.788
Rwork	0.231
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.956
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	1.820
High resolution limit [Å]	1.780	1.780
Number of reflections	27465	1395
<I/σ(I)>	9.7	0.6
Completeness [%]	99.5	91.2
Redundancy	13.2	11.7
CC(1/2)	0.999	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M NaCl, 0.1 M Tris.HCl pH 8.0, 20% PEG 6000