2W52

2 beta-glucans (6-O-glucosyl-laminaritriose) in both donor and acceptor sites of GH16 Laminarinase 16A from Phanerochaete chrysosporium.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-30
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	38.056, 46.690, 152.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.060 - 1.560
R-factor	0.152
Rwork	0.151
R-free	0.17100
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.013
RMSD bond angle	1.485
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.420	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.040	0.120
Number of reflections	39543
<I/σ(I)>	11.3	5.78
Completeness [%]	97.3	81.8
Redundancy	7	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		45 MG/ML LAM16A CRYSTALIZED IN 20% PEG 3350, 0.2 M AMMONIUM NITRATE AND 10 MM NAOAC PH 5, THEN SOAKED WITH 10 MM LIGAND FOR 90 MIN