6JOG

Crystal structure of the complex of phospho pantetheine adenylyl transferase from Acinetobacter baumannii with two ascorbic acid (Vitamin-C) molecules.

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	216.667, 216.667, 216.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	125.090 - 2.300
R-factor	0.19466
Rwork	0.193
R-free	0.22572
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zzc
RMSD bond length	0.014
RMSD bond angle	2.220
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0238)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.100	2.360
High resolution limit [Å]	2.300	2.300
Rmeas	0.120	1.300
Number of reflections	19945	3474
<I/σ(I)>	14.65	3.76
Completeness [%]	100.0	100
Redundancy	20
CC(1/2)	0.960	0.820

Crystallization Conditions

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