7L1Y

Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex

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	2018-10-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	55.958, 55.958, 163.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.680 - 1.200
R-factor	0.1809
Rwork	0.180
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l1w
RMSD bond length	0.005
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (pehnix.refine)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.680	1.240
High resolution limit [Å]	1.200	1.200
Rmeas	0.097	1.851
Rpim	0.019	0.373
Number of reflections	81946	8044
<I/σ(I)>	24.08	1.77
Completeness [%]	99.8
Redundancy	25.1
CC(1/2)	1.000	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M MES pH 6.5 and 30% (w/v) PEG 4000