2XG9

Crystal structure of Barley Beta-Amylase complexed with 4-O-alpha-D- glucopyranosylmoranoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-12-04
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	68.582, 71.237, 92.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.115 - 1.800
R-factor	0.13
Rwork	0.128
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b1y
RMSD bond length	0.017
RMSD bond angle	1.590
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0106)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.810	1.900
High resolution limit [Å]	1.790	1.800
Rmerge	0.040	0.110
Number of reflections	41215
<I/σ(I)>	10.48	6.31
Completeness [%]	97.2	98.3
Redundancy	3.56	3.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	CRYSTALS WERE GROWN AT 291 K USING THE HANGING DROP VAPOUR DIFFUSION METHOD WITH PROTEIN AT 10 MG PER ML AND A PRECIPITANT COMPRISED OF 14 PERCENT PEG 3350 IN 100 MM BIS-TRIS PROPANE BUFFER AT PH 5.5