4GKY

Crystal structure of a carbohydrate-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	93
Detector technology	CCD
Collection date	2011-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 6
Unit cell lengths	110.263, 110.263, 38.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.332 - 2.420
R-factor	0.1943
Rwork	0.192
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a4u
RMSD bond length	0.008
RMSD bond angle	0.979
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	2.550
High resolution limit [Å]	2.420	2.420
Rmerge		0.437
Number of reflections	10429
<I/σ(I)>		7.7
Completeness [%]	100.0	100
Redundancy		10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	17% PEG 8000, 0.002M calcium chloride, 0.01M alpha-1,2-dimannose, 0.05M sodium cacodylate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K