6MGL

Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, D60A mutant in complex with XXLG and XGXXLG xyloglucan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	61.170, 100.840, 118.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.410 - 1.500
R-factor	0.15
Rwork	0.148
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cn3
RMSD bond length	0.008
RMSD bond angle	1.098
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((DEV_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.410	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.057	0.540
Rpim	0.031	0.352
Number of reflections	117368	5486
<I/σ(I)>	14.5	2
Completeness [%]	99.5	94.9
Redundancy	4	3.1
CC(1/2)	0.701	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris pH 8.5, 0.2 M magnesium chloride, 25% PEG33530, xyloglucan mixture