3DCX

Crystal structure of a duf1696 family protein with a pleckstrin-homology domain (shew_0819) from shewanella loihica pv-4 at 2.00 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	2008-04-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97925,0.91837,0.97871
Spacegroup name	P 21 21 21
Unit cell lengths	61.070, 75.320, 139.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.828 - 2.000
R-factor	0.186
Rwork	0.184
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.413
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]	29.828	29.830	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.056	0.019	0.638
Number of reflections	43831	8307	7885
<I/σ(I)>	11.19	37.1	1.5
Completeness [%]	97.9	97.9	95.9
Redundancy	4.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.83	277	37.0% 2-methyl-2,4-pentanediol, 0.15M sodium chloride, 0.1M HEPES pH 6.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K