7W1D

Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in a C2 crystal form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-15
Detector	BRUKER SMART 6500
Wavelength(s)	1.0, 1.05372, 1.07194
Spacegroup name	C 1 2 1
Unit cell lengths	363.945, 239.626, 121.632
Unit cell angles	90.00, 100.13, 90.00

Refinement procedure

Resolution	29.950 - 2.780
R-factor	0.184
Rwork	0.182
R-free	0.21900
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (Phenix1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.880
High resolution limit [Å]	2.780	2.780
Rmerge	0.139	0.625
Number of reflections	257393	25697
<I/σ(I)>	11.24	2.47
Completeness [%]	99.7	99.9
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	15% (W/V) PEG 6000, 0.1 M CITRATE (PH 5.5), 0.019 M N-DECYL-N,N-DIMETHYLGLYCINE, VAPOR DIFFUSION