5JBN

Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	I 2 3
Unit cell lengths	136.176, 136.176, 136.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.395 - 1.450
R-factor	0.1469
Rwork	0.145
R-free	0.18230
RMSD bond length	0.006
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.320
High resolution limit [Å]	1.450	1.450
Number of reflections	74142
<I/σ(I)>	41.4
Completeness [%]	99.5
Redundancy	19.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.8 M ammonium sulfate, 0.25 M potassium thiocyanate, 0.2 M potassium bromide