5YN2

Crystal structure of apo Pullulanase from Klebsiella pneumoniae in space group P43212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-03
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	89.038, 89.038, 301.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.799 - 2.301
R-factor	0.1873
Rwork	0.184
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fgz
RMSD bond length	0.008
RMSD bond angle	0.876
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	2.383
High resolution limit [Å]	2.301	2.301
Rmerge	0.071	0.537
Number of reflections	54725	5298
<I/σ(I)>	18.08	4.75
Completeness [%]	99.3	98.22
Redundancy	5	5.1
CC(1/2)	0.998	0.867

Crystallization Conditions

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