3WDJ

Crystal structure of Pullulanase complexed with maltotetraose from Anoxybacillus sp. LM18-11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-20
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	139.971, 65.929, 90.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.220
R-factor	0.181
Rwork	0.181
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wdh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.300
High resolution limit [Å]	2.220	2.220
Rmerge	0.109	0.532
Number of reflections	42431
<I/σ(I)>	22.5	4.7
Completeness [%]	100.0	100
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	295	0.1M HEPES, pH 7.5, 7%(w/v) Polyethylene Glycol 8000, 10%(v/v) Ethylene Glycol , VAPOR DIFFUSION, SITTING DROP, temperature 295K