2PN2

CRYSTAL STRUCTURE OF A PUTATIVE OSMOTIC STRESS INDUCED AND DETOXIFICATION RESPONSE PROTEIN (PSYC_0566) FROM PSYCHROBACTER ARCTICUS 273-4 AT 2.15 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97939, 0.97922
Spacegroup name	C 2 2 21
Unit cell lengths	47.243, 57.390, 103.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.466 - 1.950
R-factor	0.197
Rwork	0.195
R-free	0.24200
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.631
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]	36.466	36.470	2.060
High resolution limit [Å]	1.950	6.170	1.950
Rmerge	0.039	0.020	0.222
Total number of observations		1190	3471
Number of reflections	8085
<I/σ(I)>	11.4	30.7	3.2
Completeness [%]	76.3	93.4	58.3
Redundancy	4	3.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.43	293	NANODROP, 0.2M Ammonium sulfate, 30.5% PEG MME 2000, 0.1M Sodium acetate pH 4.43, VAPOR DIFFUSION, SITTING DROP, temperature 293K