8ELE

Co-crystal structure of Chaetomium glucosidase with compound 16

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	137.825, 178.729, 180.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 2.600
R-factor	0.1936
Rwork	0.191
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.007
RMSD bond angle	1.516
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.468
Rpim	0.030	0.164
Number of reflections	68691	6561
<I/σ(I)>	12.94	3.33
Completeness [%]	98.4	96.35
Redundancy	8.9	8.9
CC(1/2)	0.998	0.944

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