8FV8

E coli. CTP synthase in complex with dF-dCTP + ADP

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	2021-12-08
Detector	RAYONIX MX-300
Wavelength(s)	1.6534
Spacegroup name	P 21 21 2
Unit cell lengths	158.014, 109.426, 129.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.500 - 2.050
Rwork	0.197
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkv
RMSD bond length	0.004
RMSD bond angle	1.239
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.500	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.098	1.567
Rmeas	0.102	1.641
Rpim	0.029	0.749
Number of reflections	140206	13859
<I/σ(I)>	12.7	0.8
Completeness [%]	100.0	100
Redundancy	12.2	10.2
CC(1/2)	0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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.