2PIG

Crystal structure of ydcK from Salmonella cholerae at 2.38 A resolution. Northeast Structural Genomics target SCR6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97877
Spacegroup name	P 41 21 2
Unit cell lengths	103.603, 103.603, 160.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.380
R-factor	0.2195
Rwork	0.220
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f9c
RMSD bond length	0.005
RMSD bond angle	1.299
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.104	0.060	0.422
Number of reflections	39556
<I/σ(I)>	8.8
Completeness [%]	100.0	100	100
Redundancy	7.8	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10 mM MAGNESIUM SULFATE, 50 mM SODIUM CACODYLATE, 1.8 M LITHIUM SULFATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K