7REV

Co-crystal structure of Chaetomium glucosidase with compound 3

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 PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	135.365, 178.090, 179.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.720 - 2.300
R-factor	0.1932
Rwork	0.191
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j5t
RMSD bond length	0.007
RMSD bond angle	1.301
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]	46.720	2.384
High resolution limit [Å]	2.300	2.300
Rmerge		1.440
Rmeas	0.257
Rpim	0.101	0.677
Number of reflections	95691	9157
<I/σ(I)>	6.26
Completeness [%]	99.6	96.55
Redundancy	6.4	5.3
CC(1/2)	0.983	0.520

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