2Q3L

CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM DUF3478 FAMILY WITH A SPOIIAA-LIKE FOLD (SHEW_3102) FROM SHEWANELLA LOIHICA PV-4 AT 2.25 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	2007-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97926, 0.97895
Spacegroup name	C 2 2 21
Unit cell lengths	40.387, 113.963, 130.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.653 - 2.250
R-factor	0.184
Rwork	0.181
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.756
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.653	28.653	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.067	0.033	0.467
Total number of observations		1121	7445
Number of reflections	14575
<I/σ(I)>	17.89	19	3.6
Completeness [%]	99.0	95.6	100
Redundancy	7.2	6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.33	277	NANODROP, 0.2M Sodium chloride, 37.0% 2-methyl-2,4-pentanediol, 0.1M Tris-HCl pH 7.33, VAPOR DIFFUSION, SITTING DROP, temperature 277K