8EKN

Co-crystal structure of Chaetomium glucosidase with compound 15

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	135.875, 179.332, 179.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.830 - 2.290
R-factor	0.1905
Rwork	0.188
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.008
RMSD bond angle	1.743
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.830	2.375
High resolution limit [Å]	2.290	2.290
Rmerge	0.110	0.920
Rpim	0.039	0.336
Number of reflections	97615	9205
<I/σ(I)>	9.75	1.61
Completeness [%]	99.4	94.6
Redundancy	8.9	8.4
CC(1/2)	0.998	0.797

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