3R5C

Pseudomonas aeruginosa DapD (PA3666) in complex with CoA and succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-05
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9334
Spacegroup name	P 41 21 2
Unit cell lengths	123.282, 123.282, 198.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.130 - 2.400
R-factor	0.22671
Rwork	0.225
R-free	0.26748
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	polyAla model of 2RIJ.pdb
RMSD bond length	0.012
RMSD bond angle	1.425
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.113	0.654
Number of reflections	60616
<I/σ(I)>	17.1	2.6
Completeness [%]	100.0	100
Redundancy	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	19-20% of PEG3350, 0.3-0.4M succinate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K