8DI0

Bfo2290: Tannerella forsythia chondroitin sulfate A sulfatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-20
Detector	RAYONIX MX-300
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	113.180, 121.110, 144.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.320 - 2.850
R-factor	0.2251
Rwork	0.222
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j66
RMSD bond length	0.003
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.320	3.000
High resolution limit [Å]	2.850	2.850
Rpim	0.057	0.528
Number of reflections	47086	6774
<I/σ(I)>	12.5
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.997	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	294	100 mM sodium citrate pH 5.6, 0.5 M ammonium sulfate, and 1 M lithium sulfate