2I5I

CRYSTAL STRUCTURE OF A PUTATIVE CELLOBIOSE-PHOSPHATE CLEAVAGE PROTEIN (EF3048) FROM ENTEROCOCCUS FAECALIS V583 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	2006-05-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370,0.978981,0.979291
Spacegroup name	H 3
Unit cell lengths	130.530, 130.530, 85.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.450 - 1.700
R-factor	0.146
Rwork	0.144
R-free	0.18500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	0.024
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.450	50.000	1.740
High resolution limit [Å]	1.700	4.100	1.700
Rmerge	0.080	0.052	0.505
Number of reflections	59414
<I/σ(I)>	20.8		2
Completeness [%]	99.6	98.1	100
Redundancy	3.6	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7	277	40.0% MPD, 0.1M HEPES pH 7.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K