1GWM

Carbohydrate binding module family29 complexed with glucohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	110
Spacegroup name	C 1 2 1
Unit cell lengths	107.707, 42.858, 35.555
Unit cell angles	90.00, 105.40, 90.00

Refinement procedure

Resolution	20.000 - 1.150
R-factor	0.129
Rwork	0.128
R-free	0.16000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE CBM29 SOLVED BY MAD
RMSD bond length	0.016
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.11)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.031	0.075 *
Number of reflections	37735
<I/σ(I)>	33.7	10
Completeness [%]	98.0 *	28.1
Redundancy	3.6	1.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		20% PEG3350, 200MM LI2SO4, 10MM CELLOHEXAOSE, 25% GLYCEROL, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium HEPES	100 (mM)	pH7.5
2	1	reservoir	PEG3350	20 (%(w/v))
3	1	reservoir		0.2 (M)
4	1	reservoir	cellohexaose	10 (mM)