3I7A

Crystal structure of Putative metal-dependent phosphohydrolase (YP_926882.1) from Shewanella amazonensis SB2B at 2.06 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97839,0.97799
Spacegroup name	P 41
Unit cell lengths	76.626, 76.626, 57.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.476 - 2.060
R-factor	0.188
Rwork	0.185
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.476	29.476	2.140
High resolution limit [Å]	2.060	4.440	2.060
Rmerge	0.053	0.019	0.408
Number of reflections	20761	3985	3843
<I/σ(I)>	11.62	34.7	1.9
Completeness [%]	98.0	96.4	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	20.0000% PEG-6000, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K