3HL4

Crystal structure of a mammalian CTP:phosphocholine cytidylyltransferase with CDP-choline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	88.973, 129.348, 43.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.22265
Rwork	0.220
R-free	0.26558
Structure solution method	SAD
RMSD bond length	0.027
RMSD bond angle	2.091
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.330
Number of reflections	26316
<I/σ(I)>	32.7	6.6
Completeness [%]	100.0	100
Redundancy	11.2	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.1M Na Acetate 1.4M Na Formate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K