8E3P

Co-crystal structure of Chaetomium glucosidase with compound 5

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	137.353, 178.943, 180.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.960 - 2.300
R-factor	0.1975
Rwork	0.195
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.006
RMSD bond angle	1.500
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]	46.960	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.086	0.837
Rpim	0.030	0.291
Number of reflections	98412	9240
<I/σ(I)>	12.43	1.77
Completeness [%]	98.1	94.89
Redundancy	8.8	9.1
CC(1/2)	0.995	0.851

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