6JFX

Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltopentaose

Replaces:  5WVT

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	50.075, 98.733, 141.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.213 - 1.981
R-factor	0.1491
Rwork	0.147
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e8y
RMSD bond length	0.006
RMSD bond angle	0.866
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	2.052
High resolution limit [Å]	1.981	1.981
Rmerge	0.102	0.354
Number of reflections	49297	4616
<I/σ(I)>	19.833	7.5
Completeness [%]	99.8	100
Redundancy	9.3	9.8

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