5YND

Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM gamma-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-16
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	88.773, 88.773, 298.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.387 - 2.227
R-factor	0.1933
Rwork	0.191
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fgz
RMSD bond length	0.008
RMSD bond angle	0.865
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.307
High resolution limit [Å]	2.227	2.227
Rmerge	0.084	0.513
Number of reflections	59330	5762
<I/σ(I)>	16.86	3.77
Completeness [%]	99.5	99.21
Redundancy	5.7	5.8
CC(1/2)	0.998	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M magnesium sulfate, 20%(w/v) PEG3350