8EUT

Co-crystal structure of Chaetomium glucosidase with compound 27

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	135.539, 178.697, 179.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.710 - 2.800
R-factor	0.1726
Rwork	0.170
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.008
RMSD bond angle	1.725
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]	46.710	2.905
High resolution limit [Å]	2.800	2.800
Rmerge	0.159	0.770
Rpim	0.055	0.269
Number of reflections	53330	5050
<I/σ(I)>	9.24	2.17
Completeness [%]	99.4	95.97
Redundancy	9	9
CC(1/2)	0.994	0.866

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