8EHE

Structure of Tannerella forsythia potempin C in complex with mirolase

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	2016-10-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	45.650, 113.360, 50.200
Unit cell angles	90.00, 112.69, 90.00

Refinement procedure

Resolution	42.870 - 1.100
R-factor	0.139
Rwork	0.139
R-free	0.14800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1st3
RMSD bond length	0.008
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]	56.700	1.170
High resolution limit [Å]	1.100	1.100
Rmerge	0.052	0.650
Rmeas	0.057	0.740
Number of reflections	184353	26672
<I/σ(I)>	18.2	2.2
Completeness [%]	96.9	83
Redundancy	6.3
CC(1/2)	1.000	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The PotC:mirolase complex at 10 mg/mL in 2 mM calcium chloride, 50 mM sodium chloride, 5 mM Tris-HCl pH 8.0 was crystallised from 19 % (w/v) PEG 2,000 MME in 100 mM of a mixture of succinic acid, sodium dihydrogen phosphate, and glycine at molar ratios 2:7:7, pH 8.0