8EPJ

Co-crystal structure of Chaetomium glucosidase with compound 17

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	135.261, 180.007, 180.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.950 - 2.150
R-factor	0.1945
Rwork	0.192
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.007
RMSD bond angle	1.507
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]	46.950	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.109
Rpim	0.045	0.528
Number of reflections	118557	11605
<I/σ(I)>	16.8	1.08
Completeness [%]	99.9	98.86
Redundancy	6.6	6.7
CC(1/2)	0.994	0.565

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