9SD6

Crystal structure of the C-terminally truncated human E430Q/E574Q-PGGHG double mutant in complex with kojibiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	54.005, 77.169, 79.055
Unit cell angles	90.00, 99.25, 90.00

Refinement procedure

Resolution	54.928 - 1.700
Rwork	0.193
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.348
Data reduction software	autoPROC
Data scaling software	Aimless (1.0.5)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.030	1.730
High resolution limit [Å]	1.700	1.700
Rpim	0.062	0.444
Number of reflections	70287	3706
<I/σ(I)>	10.3	1.8
Completeness [%]	99.8	100
Redundancy	6.5	6.9
CC(1/2)	0.994	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.35	289	Ratio: 1:1 Conditions: 25% PEG 3350, 0.1 M Bis-Tris-propane pH 7.35 and 0.2 M NaCl Soaking for 2 hours with 10 mM KJB