8E4Z

Co-crystal structure of Chaetomium glucosidase with compound 8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	I 2 2 2
Unit cell lengths	135.374, 178.346, 179.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 2.370
R-factor	0.1829
Rwork	0.180
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.009
RMSD bond angle	1.725
Data reduction software	HKL-2000 (v717.1)
Data scaling software	HKL-2000 (v717.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	2.458
High resolution limit [Å]	2.370	2.373
Rmerge	0.104	0.637
Rpim	0.040	0.229
Number of reflections	86791	7649
<I/σ(I)>	10.7	1.94
Completeness [%]	96.8	87.97
Redundancy	8.2	8.4
CC(1/2)	0.996	0.903

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