2Z8G

Aspergillus niger ATCC9642 isopullulanase complexed with isopanose

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	2005-10-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.672, 99.387, 134.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 1.700
R-factor	0.187
Rwork	0.187
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	a predicted model generated using the Swiss-model server Akeboshi et al. Eur. J. Biochem. 271 4420-4427 2004
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.056	0.375
Number of reflections	123214
<I/σ(I)>	33.9	3
Completeness [%]	99.3	95.1
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	8.75% PEG 8000, 100mM sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K