8FV6

E coli. CTP synthase in complex with dF-dCTP

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-09
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	158.402, 108.955, 129.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 2.250
Rwork	0.190
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.134	0.820
Rmeas	0.139	0.853
Rpim	0.036	0.233
Number of reflections	106448	10497
<I/σ(I)>	12.9	2.06
Completeness [%]	100.0	99.9
Redundancy	14.1	13.2
CC(1/2)	0.952	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1 M TRIS-Cl pH 8.0 (room temperature), 5 mM magnesium chloride, 1.15 - 1.4 M ammonium sulfate, 15 mg/mL CTPS.