3IEH

Crystal structure of Putative metallopeptidase (YP_001051774.1) from SHEWANELLA BALTICA OS155 at 2.45 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)	0.97845,0.97752,0.91837
Spacegroup name	P 65
Unit cell lengths	80.958, 80.958, 87.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.775 - 2.450
R-factor	0.167
Rwork	0.164
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.494
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]	29.775	29.780	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.166	0.062	0.757
Total number of observations		971	6742
Number of reflections	12080
<I/σ(I)>	11.4	9.5	2.7
Completeness [%]	99.8	95.1	99.8
Redundancy	7.6	7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	10.0000% Glycerol, 5.0000% PEG-1000, 30.0000% PEG-600, 0.1M MES pH 6.0, Additive: 0.006 M Zinc Chloride, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K