8B8E

Wild-type GH11 from Blastobotrys mokoenaii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	83.039, 37.860, 142.609
Unit cell angles	90.00, 104.27, 90.00

Refinement procedure

Resolution	63.110 - 1.550
R-factor	0.1935
Rwork	0.193
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 model of BmGH11
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.480	80.480	1.580
High resolution limit [Å]	1.550	8.480	1.550
Rmerge	0.129	0.069	1.090
Rmeas	0.154	0.083	1.345
Rpim	0.083	0.045	0.773
Total number of observations	412389	2603	15885
Number of reflections	125550	874	5922
<I/σ(I)>	4.3	9	0.8
Completeness [%]	99.5	99.4	94.9
Redundancy	3.3	3	2.7
CC(1/2)	0.989	0.977	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	JCSG+ kit condition D12: 0.04 M Potassium phosphate monobasic, 16 % w/v PEG 8000, 20% w/v glycerol; 32.5 mg/mL BmGH11. 3 weeks at room temperature.