3CT9

Crystal structure of a putative zinc peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97910
Spacegroup name	P 1 21 1
Unit cell lengths	51.340, 67.250, 107.890
Unit cell angles	90.00, 94.28, 90.00

Refinement procedure

Resolution	28.513 - 2.310
R-factor	0.197
Rwork	0.194
R-free	0.25300
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.732
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.513	28.513	2.360
High resolution limit [Å]	2.280	4.890	2.280
Rmerge	0.043	0.021	0.240
Number of reflections	31807	6430	2772
<I/σ(I)>	12.23	26.7	3
Completeness [%]	93.7	96.2	42.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	NANODROP, 0.2M NH4I, 20.0% PEG 3350, No Buffer pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K