5TKV

X-RAY CRYSTAL STRUCTURE OF THE "CLOSED" CONFORMATION OF CTP-INHIBITED E. COLI CYTIDINE TRIPHOSPHATE (CTP) SYNTHETASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979610
Spacegroup name	P 21 21 2
Unit cell lengths	159.159, 110.675, 129.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.700
R-factor	0.16005
Rwork	0.157
R-free	0.20764
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2ad5
RMSD bond length	0.024
RMSD bond angle	2.450
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.6.0117)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.020	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.092	0.310
Number of reflections	62343
<I/σ(I)>	11.2	3.1
Completeness [%]	98.3	99
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.8 M Ammonium Sulfate 10 mM CTP 10 mM Glutamine 10 mM Magnesium Sulfate