3IUU

Crystal structure of Putative metallopeptidase (YP_676511.1) from MESORHIZOBIUM SP. BNC1 at 2.13 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	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97883,0.91837
Spacegroup name	P 62 2 2
Unit cell lengths	82.220, 82.220, 310.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.829 - 2.130
R-factor	0.186
Rwork	0.184
R-free	0.22800
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]	46.829	46.829	2.210
High resolution limit [Å]	2.130	4.570	2.130
Rmerge	0.165	0.011	0.011
Number of reflections	36013	4025	3659
<I/σ(I)>	12.48	32.2	2.5
Completeness [%]	100.0	99.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.29	277	0.01 M cobalt chloride, 1.636 M ammonium sulfate, 0.1 M MES pH 6.29, Additive: 0.001 M MANGANESE CHLORIDE, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K