9R4L

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with mannose

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	2020-09-21
Detector	DECTRIS PILATUS4 X 2M
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	106.673, 106.673, 127.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.190 - 2.100
R-factor	0.1609
Rwork	0.159
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.118
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]	49.190	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.097	0.805
Rpim	0.031	0.250
Number of reflections	49336	4819
<I/σ(I)>	13.57	2.23
Completeness [%]	99.5	98.89
Redundancy	11	11.3
CC(1/2)	0.998	0.967

Crystallization Conditions

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