6UB5

Crystal structure (P21 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.033120
Spacegroup name	P 1 21 1
Unit cell lengths	45.806, 47.710, 52.517
Unit cell angles	90.00, 110.81, 90.00

Refinement procedure

Resolution	49.090 - 1.300
R-factor	0.1692
Rwork	0.169
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	1.380
High resolution limit [Å]	1.300	1.300
Number of reflections	52180	8384
<I/σ(I)>	7.42
Completeness [%]	99.8
Redundancy	5.85
CC(1/2)	0.995	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	lithium sulfate 1.4 M 2% PEG400 Tris 0.1 M