4GKX

Crystal structure of a carbohydrate-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	93
Detector technology	CCD
Collection date	2012-02-25
Detector	NOIR-1
Wavelength(s)	0.9790
Spacegroup name	P 1
Unit cell lengths	39.283, 111.498, 111.388
Unit cell angles	60.09, 89.21, 86.25

Refinement procedure

Resolution	37.191 - 2.700
R-factor	0.2478
Rwork	0.246
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a4u
RMSD bond length	0.012
RMSD bond angle	1.339
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	2.800
High resolution limit [Å]	2.700	2.700
Rmerge		0.299
Number of reflections	43492
<I/σ(I)>		2
Completeness [%]	96.9	97.8
Redundancy		1.94

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