7RD2

Co-crystal structure of Chaetomium glucosidase with compound 2

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	134.563, 178.393, 179.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.680 - 2.610
R-factor	0.17876
Rwork	0.176
R-free	0.22891
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.008
RMSD bond angle	1.597
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]	46.680	2.703
High resolution limit [Å]	2.610	2.610
Rmerge	0.180	1.400
Rpim	0.077	0.618
Number of reflections	65663	6397
<I/σ(I)>	7.96	1.25
Completeness [%]	99.7	98.07
Redundancy	6.5	5.9
CC(1/2)	0.985	0.555

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