3GD9

Crystal structure of laminaripentaose-producing beta-1,3-glucanase in complex with laminaritetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	77
Detector technology	CCD
Collection date	2006-08-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	45.981, 60.352, 149.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.172
Rwork	0.166
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gd0
RMSD bond length	0.014
RMSD bond angle	1.185
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.117
Number of reflections	38270
<I/σ(I)>	41.7	19.5
Completeness [%]	97.0	89.2
Redundancy	8.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	293	0.05M ammonium sulfate, 20% PEG8000, 0.1M sodium cacodylate (pH6.5), 20mM laminaripentaose, LIQUID DIFFUSION, temperature 293K