6UAT

Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose

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	2017-11-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	P 1 21 1
Unit cell lengths	38.458, 79.138, 46.779
Unit cell angles	90.00, 102.13, 90.00

Refinement procedure

Resolution	39.630 - 1.900
R-factor	0.1869
Rwork	0.184
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.860
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]	45.750	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	21592	3482
<I/σ(I)>	12.38
Completeness [%]	99.5
Redundancy	3.78
CC(1/2)	0.998	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	Zinc Chloride 0.01 M PEG 6000 20% sodium acetate 0.1 M