6R7W

Tannerella forsythia mature mirolysin in complex with a cleaved 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	2019-03-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	40.610, 66.490, 96.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.700 - 1.500
R-factor	0.144
Rwork	0.144
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r7v
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.700	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.038
Rmeas	0.040
Number of reflections	41508	6056
<I/σ(I)>	41.3
Completeness [%]	97.6
Redundancy	12.5
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Crystals of the mirolysin product complex were obtained at an OD280 of 19.7 in 5 mM Tris-HCl pH 8.0, 50 mM sodium chloride, 5 mM calcium chloride at 4 degrees from drops containing 200 nL of protein solution and 100 nL of reservoir solution, which comprised 40% ethanol, 5% PEG 1000, 0.1 M phosphate-citrate buffer, pH 4.2.