3H0O

The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2009-01-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.65
Spacegroup name	P 21 21 21
Unit cell lengths	60.400, 68.600, 70.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.870 - 1.400
R-factor	0.179
Rwork	0.179
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zm1
RMSD bond length	0.014
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.870	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	55766
<I/σ(I)>	30.3	3.4
Completeness [%]	95.4	98.4
Redundancy	5.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	8.5	295	24% PEG 5000 MME, 0.5M calcium acetate, 0.35M Tris-HCl, pH8.5, LIQUID DIFFUSION, temperature 295K