5YNA

Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM alpha-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	89.278, 89.278, 299.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.151 - 1.960
R-factor	0.2002
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fgz
RMSD bond length	0.007
RMSD bond angle	0.847
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	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.076	0.474
Number of reflections	87863	8666
<I/σ(I)>	22.35	4.34
Completeness [%]	99.9	99.94
Redundancy	8.3	8.2
CC(1/2)	0.998	0.930

Crystallization Conditions

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