2RCD

CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3225 FAMILY (ECA3500) FROM PECTOBACTERIUM ATROSEPTICUM SCRI1043 AT 2.32 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	2007-07-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97898
Spacegroup name	C 1 2 1
Unit cell lengths	93.375, 93.524, 72.919
Unit cell angles	90.00, 105.32, 90.00

Refinement procedure

Resolution	29.463 - 2.320
R-factor	0.19
Rwork	0.187
R-free	0.24200
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.535
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.463	29.463	2.380
High resolution limit [Å]	2.320	10.380	2.320
Rmerge	0.108	0.054	0.639
Total number of observations		838	6114
Number of reflections	25597
<I/σ(I)>	6	11.6	1.1
Completeness [%]	97.7	94.6	97
Redundancy	3.2	2.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	NANODROP, 1.1M Lithium chloride, 24.0% PEG 6000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K