8I8P

Crystal structure of the complex of phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephosphocoenzyme-A at 2.19 A resolution.

Replaces:  6KYGReplaces:  6JMJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.97199
Spacegroup name	F 41 3 2
Unit cell lengths	217.038, 217.038, 217.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	125.307 - 2.190
Rwork	0.201
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	2.068
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.307	2.250
High resolution limit [Å]	2.190	2.190
Number of reflections	22090	1044
<I/σ(I)>	16.2
Completeness [%]	95.5
Redundancy	20
CC(1/2)	0.990	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1M LITHIUM SULPHATE, 2M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH 5.6