24ZQ

The alpha amylase AmyY complexed with an acarbose-derived trisaccharide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	140.207, 140.207, 84.034
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.100 - 2.100
R-factor	0.1901
Rwork	0.189
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.100	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	55744	61241
<I/σ(I)>	17.5
Completeness [%]	100.0
Redundancy	15.2
CC(1/2)	0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M sodium iodide, 0.1 M Bis-Tris Propane (pH 7.5), 20% (w/v) PEG 3350