3D82

Crystal structure of a cupin-2 domain containing protein (sfri_3543) from shewanella frigidimarina ncimb 400 at 2.05 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	2008-03-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929,0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	56.920, 95.140, 237.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.853 - 2.050
R-factor	0.187
Rwork	0.186
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.853		2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.040	0.023	0.350
Number of reflections	40296	7531	6258
<I/σ(I)>	11.7	28.6	1.9
Completeness [%]	97.0	94.8	83.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.2000M K2NO3, 20.0000% PEG-3350, No Buffer pH 6., NANODROP, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K