1UX7

Carbohydrate-Binding Module CBM36 in complex with calcium and xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	38.581, 52.132, 54.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 1.500
R-factor	0.157
Rwork	0.155
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.011
RMSD bond angle	1.463
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.043	0.094
Number of reflections	18133
<I/σ(I)>	27	12
Completeness [%]	99.0	97
Redundancy	4.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50