8EUX

Co-crystal structure of Chaetomium glucosidase with compound 28

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	136.929, 178.571, 180.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 2.800
R-factor	0.1779
Rwork	0.175
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.006
RMSD bond angle	1.560
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.890	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.153	1.250
Rpim	0.063	0.520
Number of reflections	54428	5306
<I/σ(I)>	7.97	1.12
Completeness [%]	99.7	98.15
Redundancy	6.8	6.7
CC(1/2)	0.993	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297	0.1 M Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate