1X0C

Improved Crystal Structure of Isopullulanase from Aspergillus niger ATCC 9642

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	99.725, 136.158, 84.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.860 - 1.700
R-factor	0.195
Rwork	0.195
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	125747
Completeness [%]	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	PEG 8000, sodium acetate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K