8AG9

Thermogutta terrifontis endoglucanase of glycoside hydrolase family 5 (TtEnd5A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-02
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	59.851, 69.442, 81.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.156 - 1.560
Rwork	0.141
R-free	0.16990
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.186
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.048	0.371
Rmeas	0.051	0.499
Rpim	0.014	0.330
Number of reflections	386442	221
<I/σ(I)>	32.2	1.1
Completeness [%]	70.2	9.1
Redundancy	11.2	1.4
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.2 M (NH4)2SO4 , 0.1 M HEPES Buffer, 25 %w/v PEG 3350 as precipitant, and protein concentration was 0.18 mM