2FAR

Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with dATP and Manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	71.736, 203.787, 44.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.540 - 1.900
R-factor	0.195
Rwork	0.195
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fao
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.540	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.071
Number of reflections	98203
<I/σ(I)>	29.9	18.3
Completeness [%]	99.6	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	100 mM sodium cacodylate, 0.2 M sodium acetate, 5 mM DTT, 26-32% polyethylene glycol-8000, 10 mM Manganous Chloride, 5 mM dATP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K