7T68

Co-crystal structure of Chaetomium glucosidase with compound UV-5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	I 2 2 2
Unit cell lengths	135.747, 178.382, 179.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.720 - 2.320
R-factor	0.1926
Rwork	0.190
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j5t
RMSD bond length	0.007
RMSD bond angle	1.260
Data reduction software	HKL-2000 (v715)
Data scaling software	HKL-2000 (v715)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.720	2.404
High resolution limit [Å]	2.320	2.320
Rmerge	0.081	0.610
Rmeas	0.088	0.665
Rpim	0.034	0.262
Number of reflections	93750	9178
<I/σ(I)>	9.63	1.85
Completeness [%]	99.7	99.01
Redundancy	6.7	6.3
CC(1/2)	0.998	0.842

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