3M1T

Crystal structure of Putative phosphohydrolase (YP_929327.1) from Shewanella amazonensis SB2B at 1.62 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97936,0.97925
Spacegroup name	P 31 2 1
Unit cell lengths	69.729, 69.729, 124.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.348 - 1.620
R-factor	0.183
Rwork	0.182
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.567
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.348	29.360	1.660
High resolution limit [Å]	1.620	7.240	1.620
Rmerge	0.075	0.052	0.684
Total number of observations		7203	23949
Number of reflections	45318
<I/σ(I)>	19.8	50.1	2.2
Completeness [%]	100.0	98.5	99.6
Redundancy	9.6	12.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	1.6000M (NH4)2SO4, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K