9IYH

Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.25 A resolution.

Replaces:  8I8L

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	137.925, 78.622, 106.985
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	42.668 - 2.250
Rwork	0.225
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.382
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]	42.668	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.134	0.722
Rpim	0.133	0.721
Number of reflections	52114	4601
<I/σ(I)>	4.6	1.3
Completeness [%]	96.3
Redundancy	2.1
CC(1/2)	0.980	0.445

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