3OYV

Crystal structure of an imelysin peptidase (BACOVA_03801) from Bacteroides ovatus ATCC 8483 at 1.25 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	2010-05-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.85503,0.97934,0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	104.427, 47.921, 83.914
Unit cell angles	90.00, 124.62, 90.00

Refinement procedure

Resolution	31.208 - 1.250
R-factor	0.1333
Rwork	0.132
R-free	0.16300
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.464
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.208	31.208	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.055	0.034	0.522
Number of reflections	93405	9571	7550
<I/σ(I)>	12.79	32.3	2.2
Completeness [%]	98.6	98.2	89.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	0.05M KH2PO4, 20.00% PEG-8000, No Buffer pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K