4UAP

X-ray structure of GH31 CBM32-2 bound to GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-29
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	48.300, 84.750, 86.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.407 - 2.000
R-factor	0.1473
Rwork	0.145
R-free	0.19230
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	iMOSFLM
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.407	2.050
High resolution limit [Å]	2.000	2.000
Rmerge		0.520
Number of reflections	24623
<I/σ(I)>	13.7
Completeness [%]	99.9	100
Redundancy	14	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	25% PEG 3350 0.1M BisTris pH 6.5 5% glycerol