9SJH

Crystal structure of apo GHdex dextranase (BT3087), E360A catalytic mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97940
Spacegroup name	P 41 21 2
Unit cell lengths	92.862, 92.862, 330.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.404 - 2.100
Rwork	0.190
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.791
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	330.680	330.680	2.140
High resolution limit [Å]	2.100	11.110	2.100
Rmerge	0.892	0.124
Rmeas	0.927	0.129	17.905
Rpim	0.251	0.034	5.021
Number of reflections	85740	737	4460
<I/σ(I)>	5.9	15.6	1.2
Completeness [%]	100.0	100	100
Redundancy	25.9	21.2	24.7
CC(1/2)	0.990	0.989	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	2M ammonium sulphate 0.2M Potassium sodium tartrate 0.1M sodium citrate pH 5.6