9IYE

Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.39 A resolution.

Replaces:  8I8K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8731
Spacegroup name	C 1 2 1
Unit cell lengths	137.919, 78.618, 106.981
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	42.666 - 2.390
Rwork	0.222
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.390
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.490	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.118	0.570
Rpim	0.118	0.568
Number of reflections	43366	4653
<I/σ(I)>	5.3	1.8
Completeness [%]	96.0	97.8
Redundancy	2.1	2.1
CC(1/2)	0.981	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	BIS-TRIS propane pH 7.0, Sodium citrate tribasic dihydrate