6A6D

Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9677
Spacegroup name	F 41 3 2
Unit cell lengths	216.479, 216.479, 216.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.190 - 2.900
R-factor	0.18023
Rwork	0.177
R-free	0.24138
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yh7
RMSD bond length	0.013
RMSD bond angle	1.878
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.970
High resolution limit [Å]	2.900	2.900
Rmeas	0.105	0.990
Number of reflections	9622	2466
<I/σ(I)>	26.7	0.76
Completeness [%]	99.9	99.7
Redundancy	20	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH- 5.6