5DPN

Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-28
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	P 21 21 2
Unit cell lengths	72.977, 49.856, 45.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.445 - 1.606
R-factor	0.1648
Rwork	0.163
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bj0
RMSD bond length	0.010
RMSD bond angle	1.268
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.041	0.231
Number of reflections	20530
<I/σ(I)>	6.6	7.8
Completeness [%]	91.1	97.2
Redundancy	3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Large crystals were grown in 9-well glass plates using Hampton sandwich box set-up.
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Large crystals were grown in 9-well glass plates using Hampton sandwich box set-up.