1UY3

Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	113
Detector technology	IMAGE PLATE
Detector	RIGAKU R-AXIS IV++
Spacegroup name	P 41 21 2
Unit cell lengths	83.413, 83.413, 44.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.890
R-factor	0.132
Rwork	0.130
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gmm
RMSD bond length	0.018
RMSD bond angle	1.631
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.070	0.354
Number of reflections	12433
<I/σ(I)>	16	5.2
Completeness [%]	99.9	100
Redundancy	8.2	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		pH 4.50