2NVV

Crystal Structure of the Putative Acetyl-CoA hydrolase/transferase PG1013 from Porphyromonas gingivalis, Northeast Structural Genomics Target PgR16.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Detector technology	CCD
Collection date	2006-09-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97911
Spacegroup name	P 32
Unit cell lengths	131.051, 131.051, 162.093
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 2.700
R-factor	0.287
Rwork	0.287
R-free	0.29000
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.950	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.155	0.287
Number of reflections	85246
<I/σ(I)>	13.7	8.64
Completeness [%]	100.0	100
Redundancy	7.8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	80mM Cacodylic acid, 6% PEG8k, 160mM calcium acetate, 15% glycerol, 5mM DTT, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K