7R6J

Co-crystal structure of Chaetomium glucosidase with compound 1

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	135.839, 178.544, 179.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.770 - 1.905
R-factor	0.1761
Rwork	0.174
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j5t
RMSD bond length	0.007
RMSD bond angle	1.499
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]	46.770	1.973
High resolution limit [Å]	1.900	1.905
Rmerge	0.146	1.791
Rpim	0.061	0.792
Number of reflections	168664	16213
<I/σ(I)>	9.98	0.98
Completeness [%]	99.3	95.82
Redundancy	6.5	5.8
CC(1/2)	0.996	0.407

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