6JHI

Crystal structure of mutant D470A of Pullulanase from Paenibacillus barengoltzii complexed with maltotetraose

Replaces:  5WWA

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	50.757, 98.517, 141.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.068 - 2.319
R-factor	0.156
Rwork	0.153
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e8y
RMSD bond length	0.008
RMSD bond angle	0.929
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	2.360
High resolution limit [Å]	2.319	2.319
Rmerge	0.113	0.226
Number of reflections	30977	1622
<I/σ(I)>	14.742	7.778
Completeness [%]	98.5	99.7
Redundancy	5.9	6.1

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