2ETS

CRYSTAL STRUCTURE OF A BACTERIAL DOMAIN OF UNKNOWN FUNCTION FROM DUF1798 FAMILY (MW1337) FROM STAPHYLOCOCCUS AUREUS SUBSP. AUREUS AT 2.25 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	H 3 2
Unit cell lengths	93.473, 93.473, 101.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.290 - 2.250
Rwork	0.175
R-free	0.21700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.357
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.290	29.290	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.130	0.079	0.976
Number of reflections	8245
<I/σ(I)>	3.9	7	0.7
Completeness [%]	100.0
Redundancy	14.9	11.7	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7	277	0.2M MgCl2, 2.5M NaCl, 0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K