4F0J

Crystal structure of a probable hydrolytic enzyme (PA3053) from Pseudomonas aeruginosa PAO1 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-11
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	63.234, 82.886, 58.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.811 - 1.500
R-factor	0.1611
Rwork	0.160
R-free	0.18620
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.703
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.811	27.811	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.052	0.022	0.673
Number of reflections	49169	9228	8549
<I/σ(I)>	11.52	35.1	1.8
Completeness [%]	97.0	96.6	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	2.00M ammonium sulfate, 2.00% polyethylene glycol 400, 0.1M sodium HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K