3D5Z

Crystal Structure Analysis of 1,5-alpha-arabinanase catalytic mutant (AbnBE201A) complexed to arabinotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-08-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	84.682, 88.831, 75.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.710 - 1.900
R-factor	0.192
Rwork	0.192
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cu9
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.040	0.396
Number of reflections	19994
<I/σ(I)>	14.3
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, Hanging drop, Cocrystaliization	7.5	295	1.8M lithium sulfate, 0.1M Tris buffer 7.5, 5% (w/v) PEG 400, 3mM arabinotriose, Vapor diffusion, Hanging drop, Cocrystaliization, temperature 295K