3D61

Crystal Structure Analysis of 1,5-alpha-arabinanase catalytic mutant (AbnBD147A) complexed to arabinobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-01-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	86.087, 89.732, 75.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.990 - 1.950
R-factor	0.185
Rwork	0.185
R-free	0.22200
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
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.950
Rmerge	0.082
Number of reflections	21215
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, Hanging drop, Cocrystaliization	8	295	1.6M lithium sulfate, 0.1M Tris buffer pH 8, 0.5mM arabinobiose, Vapor diffusion, Hanging drop, Cocrystaliization, temperature 295K