8ETO

Co-crystal structure of Chaetomium glucosidase with compound 25

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	136.248, 179.088, 180.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 2.300
R-factor	0.1902
Rwork	0.188
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t6w
RMSD bond length	0.007
RMSD bond angle	1.637
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]	46.920	2.386
High resolution limit [Å]	2.300	2.300
Rmerge	0.125	1.303
Rpim	0.053	0.592
Number of reflections	97213	9535
<I/σ(I)>	10.08	1.15
Completeness [%]	99.8	98.82
Redundancy	6.5	5.7
CC(1/2)	0.997	0.566

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