8DI1

Bfo2294: Tannerella forsythia 2-Keto-3-deoxy-6-phosphogluconate aldolase (KDPG) and 4-Hydroxy-2-oxoglutarate aldolase (KHG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97948
Spacegroup name	P 2 3
Unit cell lengths	98.150, 98.150, 98.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.700 - 2.200
R-factor	0.1812
Rwork	0.179
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wa3
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.890	2.320
High resolution limit [Å]	2.200	2.200
Rpim	0.041	0.216
Number of reflections	16309	2348
<I/σ(I)>	12.4	3.4
Completeness [%]	100.0	100
Redundancy	11	7.4
CC(1/2)	0.995	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	40% (v/v) Tacsimate pH 7.0 and 11% (v/v) Tacsimate pH 9.0 and 6.5% (v/v) glycerol as the crystallization solution