8EHP

Co-crystal structure of Chaetomium glucosidase with compound 13

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	135.516, 178.431, 180.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.870 - 2.680
R-factor	0.1849
Rwork	0.182
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.006
RMSD bond angle	1.410
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]	46.870	2.780
High resolution limit [Å]	2.680	2.680
Rmerge	0.127	0.785
Rpim	0.045	0.285
Number of reflections	60803	5584
<I/σ(I)>	10.39	2.15
Completeness [%]	99.0	91.87
Redundancy	9	8.7
CC(1/2)	0.994	0.783

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