8YIF

Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarviosin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-09
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	51.223, 73.336, 73.213
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	42.130 - 1.600
R-factor	0.1713
Rwork	0.171
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8yie
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.082	0.672
Rmeas	0.089	0.731
Number of reflections	70932	11229
<I/σ(I)>	15.7	2.78
Completeness [%]	99.6
Redundancy	6.61
CC(1/2)	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	5 mM acarviosin, 0.5 M lithium chloride, 10% (w/v) polyethylene glycol 6000, and 55 mM HEPES-NaOH buffer (pH 7.0)