3X1J

Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	93
Detector technology	CCD
Collection date	2014-04-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9748
Spacegroup name	C 2 2 21
Unit cell lengths	104.900, 120.700, 90.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.328 - 2.334
R-factor	0.228
Rwork	0.226
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.328	2.470
High resolution limit [Å]	2.334	2.330
Number of reflections	24934
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	295	PEG4000 18%, 0.1M HEPES, 5% Isopropanol, 200mM Sodium acetate., pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 295K