9R4K

Crystal structure of CtGH76 from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS4 X 2M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	106.787, 106.787, 126.898
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.210 - 2.020
R-factor	0.1938
Rwork	0.193
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.210	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.015	0.283
Rmeas	0.021	0.400
Number of reflections	55077	5395
<I/σ(I)>	29.64	2.73
Completeness [%]	99.3
Redundancy	2
CC(1/2)	1.000	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.6 M sodium formate 10% (v/v) glycerol