2FHF

Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-12-10
Detector	RIGAKU RAXIS V
Wavelength(s)	0.836
Spacegroup name	C 1 2 1
Unit cell lengths	150.159, 60.509, 134.664
Unit cell angles	90.00, 111.87, 90.00

Refinement procedure

Resolution	14.980 - 1.650
R-factor	0.178
Rwork	0.178
R-free	0.20600
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.300
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.650
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	0.270
Number of reflections	125174
<I/σ(I)>	18.2	3.9
Completeness [%]	83.9	72.2
Redundancy	2.76	2.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Crystallization details15-25% polyethyleneglycol 6000 in 0.2 M magnesium acetate and 0.2 M sodium acetate buffer. The crystal was soaked with 300 mM maltotetraose for 30 min at 20 deg.C, followed by flash-freezing in a nitrogen gas stream at 100 K without any cryo-protectant., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K