8Q58

Crystal structure of metal-dependent classII sulfofructosephosphate aldolase (SFPA) from Hafnia paralvei HpSqiA-Zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	60.332, 88.490, 126.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.010 - 1.700
R-factor	0.18623
Rwork	0.185
R-free	0.20052
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.658
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.400	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.062	0.810
Rmeas	0.064	0.842
Rpim	0.017	0.229
Total number of observations	512681	26484
Number of reflections	37727	1987
<I/σ(I)>	20.2	3
Completeness [%]	100.0
Redundancy	13.6	13.3
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium malonate dibasic monohydrate and 20% w/v PEG (polyethylene glycol) 3,350