3AAG

Crystal structure of C. jejuni pglb C-terminal domain

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	2007-07-04
Detector	Bruker DIP-6040
Wavelength(s)	1.1
Spacegroup name	P 64
Unit cell lengths	115.258, 115.258, 88.883
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.24626
Rwork	0.245
R-free	0.26006
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.335
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.5.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	16601
<I/σ(I)>	9.3	3.37
Completeness [%]	99.9	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG 8000, 0.2M CALCIUM ACETATE, 0.1M SODIUM CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG 8000, 0.2M CALCIUM ACETATE, 0.1M SODIUM CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG 8000, 0.2M CALCIUM ACETATE, 0.1M SODIUM CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K