9KPY

Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.20 A resolution.

Replaces:  8I8J

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	137.966, 78.659, 107.027
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	41.581 - 2.200
Rwork	0.207
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.368
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]	41.581	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.132	0.725
Rmeas	0.187	1.024
Rpim	0.132	0.723
Number of reflections	56390	4680
<I/σ(I)>	3.6	1.2
Completeness [%]	97.3
Redundancy	2.1
CC(1/2)	0.980	0.395

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