3LHO

Crystal structure of putative hydrolase (YP_751971.1) from Shewanella frigidimarina NCIMB 400 at 1.80 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	2009-11-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97949,0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	42.098, 75.035, 91.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 1.800
R-factor	0.175
Rwork	0.173
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.961		1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.069	0.032	0.695
Number of reflections	27317	5019	4681
<I/σ(I)>	7.95	23.5	1.3
Completeness [%]	98.3	96.1	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.57	293	1.3000M ammonium sulfate, 2.2500% polyethylene glycol 400, 15.0000% Glycerol, 0.1M HEPES pH 7.57, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K