2OOJ

CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3224 FAMILY (SO_1590) FROM SHEWANELLA ONEIDENSIS MR-1 AT 1.84 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	2007-01-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97883
Spacegroup name	P 21 21 21
Unit cell lengths	47.211, 55.254, 106.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.788 - 1.840
R-factor	0.18
Rwork	0.178
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.525
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]	29.790	29.830	1.890
High resolution limit [Å]	1.840	8.230	1.840
Rmerge	0.110	0.078	0.692
Total number of observations		1794	6465
Number of reflections	24865
<I/σ(I)>	10.5	7.7	1.4
Completeness [%]	99.9	95.6	100
Redundancy	4.7	5.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 0.2M Li2SO4, 2.5M NaCl, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K