1W90

CBM29-2 mutant D114A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Spacegroup name	P 43 21 2
Unit cell lengths	93.190, 93.190, 82.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 2.500
R-factor	0.183
Rwork	0.180
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwm
RMSD bond length	0.016
RMSD bond angle	1.582
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.710
High resolution limit [Å]	1.600	1.600
Rmerge	0.070	0.710
Number of reflections	48338
<I/σ(I)>	22.8	2
Completeness [%]	100.0	100
Redundancy	11.9	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		100 MM NA/HEPES BUFFER PH 7.5, 150 MM KSCN, 20% ETHYLENE GLYCOL, 18% PEG3350