3BSW

PglD-citrate complex, from Campylobacter jejuni NCTC 11168

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	110
Detector technology	CCD
Collection date	2007-02-07
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97840
Spacegroup name	P 63
Unit cell lengths	86.347, 86.347, 65.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.770
R-factor	0.184
Rwork	0.183
R-free	0.19900
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.189
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.770	1.770
Rmerge	0.062	0.571
Number of reflections	27129
<I/σ(I)>	27.7	2.9
Completeness [%]	99.4	99.6
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	SeMet derivative: 1 M sodium citrate, 100 mM imidazole, pH 8.0 in the resevior; protein solution containing 20 mM HEPES, 150 mM NaCl, pH 7.1, protein concentration of 10 mg/mL; drop made by mixing 1.5 uL of protein and resevoir solutions, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	8	277	SeMet derivative: 1 M sodium citrate, 100 mM imidazole, pH 8.0 in the resevior; protein solution containing 20 mM HEPES, 150 mM NaCl, pH 7.1, protein concentration of 10 mg/mL; drop made by mixing 1.5 uL of protein and resevoir solutions, VAPOR DIFFUSION, SITTING DROP, temperature 277K