4Z1C

Structure of Cadmium bound KDO8PS from H.pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	140.353, 51.017, 78.667
Unit cell angles	90.00, 104.70, 90.00

Refinement procedure

Resolution	28.970 - 1.930
R-factor	0.19174
Rwork	0.191
R-free	0.21181
RMSD bond length	0.009
RMSD bond angle	1.362
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.930
Number of reflections	36113
<I/σ(I)>	32.85
Completeness [%]	92.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, HEPES, magnesium chloride