3IIB

Crystal structure of Peptidase M28 precursor (YP_926796.1) from SHEWANELLA AMAZONENSIS SB2B at 1.70 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	2009-04-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97791
Spacegroup name	C 1 2 1
Unit cell lengths	90.442, 84.867, 80.114
Unit cell angles	90.00, 115.85, 90.00

Refinement procedure

Resolution	29.374 - 1.700
R-factor	0.152
Rwork	0.151
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.471
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]	29.374	29.370	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.120	0.063	0.462
Total number of observations		1693	11090
Number of reflections	58230
<I/σ(I)>	7.9	20	1.9
Completeness [%]	97.4	97.7	96
Redundancy	2.6	2.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M MgCl2, 30.0000% PEG-400, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K