8FVB

E coli. CTP synthase in complex with CTP

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)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	164.707, 103.907, 131.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.030
Rwork	0.192
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tkv
RMSD bond length	0.002
RMSD bond angle	1.158
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]	44.000	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.166	0.851
Rmeas	0.172	0.887
Rpim	0.045	0.248
Number of reflections	142127	10569
<I/σ(I)>	4.83	1.15
Completeness [%]	97.3	73.4
Redundancy	14	12.1
CC(1/2)	0.970	0.892

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.