8FVA

E coli. CTP synthase in complex with F-araCTP

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	158.287, 108.067, 128.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 2.400
Rwork	0.205
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkv
RMSD bond length	0.003
RMSD bond angle	1.203
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]	48.810	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.132	0.399
Rmeas	0.136	1.036
Rpim	0.036	0.272
Number of reflections	86531	8519
<I/σ(I)>	6.39	2.47
Completeness [%]	99.8	99.8
Redundancy	14.6	14.5
CC(1/2)	0.980	0.934

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.