8E4K

Co-crystal structure of Chaetomium glucosidase with compound 7

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	135.093, 178.338, 179.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.640 - 2.200
R-factor	0.1909
Rwork	0.189
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.007
RMSD bond angle	1.524
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]	46.640	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.100	0.623
Rpim	0.035	0.236
Number of reflections	108274	9443
<I/σ(I)>	11.09	1.93
Completeness [%]	95.5	87.13
Redundancy	8.8	7.6
CC(1/2)	0.992	0.861

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