6JFJ

Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltohexaose and alpha-cyclodextrin

Replaces:  5WW2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97776
Spacegroup name	P 2 21 21
Unit cell lengths	49.911, 98.179, 140.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 1.932
R-factor	0.1477
Rwork	0.145
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e8y
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.932	1.932
Rmerge	0.094	0.600
Number of reflections	52278	2657
<I/σ(I)>	27.5
Completeness [%]	99.8	100
Redundancy	12.7	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.08M calcium chloride, 0.1M MES, 22% PEG 3350, 0.7% beta-OG, pH 6.5