6R7U

Selenomethionine variant of Tannerella forsythia promirolysin mutant E225A

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	2018-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.2815
Spacegroup name	P 1 21 1
Unit cell lengths	47.780, 79.210, 75.500
Unit cell angles	90.00, 106.80, 90.00

Refinement procedure

Resolution	44.970 - 1.600
R-factor	0.186
Rwork	0.186
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cki
RMSD bond length	0.012
RMSD bond angle	1.140
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]	53.400	1.700
High resolution limit [Å]	1.600	1.600
Number of reflections	70233	11622
<I/σ(I)>	10.9	2.4
Completeness [%]	99.1
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Selenomethionine-derivatized promirolysin crystals were obtained at 20 degrees from drops containing 200 nL of protein solution at 0.6 mg/mL in 5 mM Tris-HCl pH 8.0, 50 mM sodium chloride and 100 nL of reservoir solution, which comprised 25% PEG 1500, 0.1 M MIB buffer (malonic acid, imidazole and boric acid at a 2:3:3 molar ratio), pH 6.0.