9R4N

Crystal structure of CtGH76 from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-21
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.999
Spacegroup name	P 31 2 1
Unit cell lengths	107.531, 107.531, 127.193
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.520 - 2.550
R-factor	0.2067
Rwork	0.205
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.487
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]	49.520	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.037	0.182
Rmeas	0.052	0.257
Number of reflections	28133	2783
<I/σ(I)>	7.01	2.14
Completeness [%]	99.6	99.68
Redundancy	2	2
CC(1/2)	0.998	0.955

Crystallization Conditions

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