1JYL

Catalytic Mechanism of CTP:phosphocholine Cytidylyltransferase from Streptococcus pneumoniae (LicC)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-11
Wavelength(s)	0.9790
Spacegroup name	P 1
Unit cell lengths	48.200, 69.000, 81.600
Unit cell angles	93.40, 92.80, 97.10

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.208 *
Rwork	0.208
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.510
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.094 *
Total number of observations	194300 *
Number of reflections	37757
<I/σ(I)>	12.2	2.02
Completeness [%]	94.5	77.2
Redundancy		1.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	18 *	sodium acetate, PEG 4000, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	23.3 (mg/ml)
2	1	1	Tris	50 (mM)	pH7.5
3	1	1	dithiothreitol	1 (mM)
4	1	1	EDTA	1 (mM)
5	1	2	sodium citrate	0.1 (M)
6	1	2	ammonium sulfate	1.85 (M)
7	1	2	sodium potassium tartrate	0.2 (M)	pH5.8