8FV7

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

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)	1.6532
Spacegroup name	P 21 21 2
Unit cell lengths	158.982, 108.456, 128.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.126 - 2.080
Rwork	0.203
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkv
RMSD bond length	0.002
RMSD bond angle	1.178
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]	83.126	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.135	1.862
Rmeas	0.141	1.944
Rpim	0.040	0.556
Number of reflections	133846	13223
<I/σ(I)>	12.4	0.8
Completeness [%]	100.0	100
Redundancy	12.5	12
CC(1/2)	0.994	0.684

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.