1JYK

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795, 0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	42.620, 63.590, 122.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.218 *
Rwork	0.218
R-free	0.24100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.370
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.048 *
Total number of observations	1187180 *
Number of reflections	54137
<I/σ(I)>	36.8
Completeness [%]	99.9	99.7 *
Redundancy		2.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	18 *	sodium citrate, ammonium sulfate, tartrate, pH 7.5, 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