9SJF

Crystal structure of GHdex dextranase (BT3087), E360A catalytic mutant with bound IMO3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.89842
Spacegroup name	P 41 21 2
Unit cell lengths	92.224, 92.224, 328.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.294 - 2.200
Rwork	0.202
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.885
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.030	47.030	2.250
High resolution limit [Å]	2.200	10.780	2.200
Rmerge	0.319	0.092	2.225
Rmeas	0.332	0.095	2.397
Rpim	0.090	0.025	0.871
Number of reflections	73184	769	4453
<I/σ(I)>	7.7	19.9	1.1
Completeness [%]	100.0	99.1	100
Redundancy	24.8	22.6	13.7
CC(1/2)	0.996	0.999	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Co-crystallisation where the protein was pre-incubated with 5mM dextran 1.5 before being dispensed into trays Condition: 0.5M Lithium chloride 1.6M Ammonium sulphate