4XSV

Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933300
Spacegroup name	P 41 21 2
Unit cell lengths	73.390, 73.390, 140.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.370 - 2.700
R-factor	0.19477
Rwork	0.191
R-free	0.26417
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3elb
RMSD bond length	0.012
RMSD bond angle	1.512
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.131	0.526
Number of reflections	11119
<I/σ(I)>	16.4	4.6
Completeness [%]	99.7	99.6
Redundancy	9.2	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	17% PEG3350, 0.2M magnesium formate, 0.1M HEPES, 0.01M CTP, 0.01M magnesium chloride