8B3Y

Native Thermogutta terrifontis endoglucanase catalytic domain with a linker at C-terminal from glycoside hydrolase family 5 (TtEnd5A-CDC)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	59.980, 69.520, 81.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 1.250
R-factor	0.13793
Rwork	0.137
R-free	0.16052
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ag9
RMSD bond length	0.008
RMSD bond angle	1.378
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.055	2.076
Rmeas	0.059	2.183
Rpim	0.017	0.952
Number of reflections	93566	6204
<I/σ(I)>	15.7
Completeness [%]	99.0	90.4
Redundancy	12	5.4
CC(1/2)	1.000	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Well number B2 conditions of LMB screen: 1.9M Ammonium Sulphate, 0.1M MES pH 6.5 + Additive Screen (well number C11 conditions of Grid Screen Salt HR2-248: 2.9 M Sodium malonate pH 5.0) TtEnd5A CD-C variant = 10.6 mg/ml. 10x Cellobiose (100 uM)