2R3B

CRYSTAL STRUCTURE OF a ribokinase-like superfamily protein (EF1790) FROM ENTEROCOCCUS FAECALIS V583 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	2007-06-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97926, 0.97895
Spacegroup name	C 2 2 21
Unit cell lengths	97.817, 159.564, 102.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.591 - 1.800
R-factor	0.152
Rwork	0.150
R-free	0.18300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.459
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.591	29.591	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.102	0.044	0.670
Total number of observations		4128	27161
Number of reflections	73792
<I/σ(I)>	6.2	12.7	1.1
Completeness [%]	99.4	97.8	98.9
Redundancy	5	4.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.2M MgCl2, 10.0% PEG 3000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K