3GUX

Crystal structure of a putative zn-dependent exopeptidase (bvu_1317) from bacteroides vulgatus atcc 8482 at 1.80 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	2008-05-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97916
Spacegroup name	P 21 21 21
Unit cell lengths	42.620, 49.060, 281.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.583 - 1.800
R-factor	0.198
Rwork	0.196
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.745
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]	28.583	28.583	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.040	0.015	0.497
Number of reflections	55944	10438	9751
<I/σ(I)>	12.89	42	1.5
Completeness [%]	98.8	97.8	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.2000M NH4Acetate, 20.0000% PEG-3350, No Buffer pH 7.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K