2OOK

Crystal structure of a protein with unknown function (YP_749275.1) from Shewanella Frigidimarina NCIMB 400 at 1.80 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	2007-01-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97910, 0.97879
Spacegroup name	C 1 2 1
Unit cell lengths	80.579, 40.412, 78.050
Unit cell angles	90.00, 92.23, 90.00

Refinement procedure

Resolution	28.571 - 1.800
R-factor	0.186
Rwork	0.183
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.526
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]	28.571	28.570	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.056	0.029	0.653
Total number of observations		908	6294
Number of reflections	22625
<I/σ(I)>	13.6	23	2.1
Completeness [%]	96.5	93.5	95.3
Redundancy	3.8	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	NANODROP, 0.2M Calcium acetate, 20.0% PEG-3350, No Buffer, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K