8ER4

Co-crystal structure of Chaetomium glucosidase with compound 23

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	I 2 2 2
Unit cell lengths	137.653, 177.198, 180.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 2.300
R-factor	0.1998
Rwork	0.198
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.009
RMSD bond angle	1.592
Data reduction software	HKL-2000 (v717.1)
Data scaling software	HKL-2000 (v717.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.087	0.600
Rpim	0.031	0.208
Number of reflections	96056	8921
<I/σ(I)>	13.97	2.46
Completeness [%]	97.5	92.96
Redundancy	8.8
CC(1/2)	0.997	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297	0.1 Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate