3HSA

Crystal structure of pleckstrin homology domain (YP_926556.1) from SHEWANELLA AMAZONENSIS SB2B at 1.99 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	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	33.230, 129.490, 138.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.351 - 1.990
R-factor	0.191
Rwork	0.189
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.351	47.351	2.060
High resolution limit [Å]	1.990	4.270	1.990
Rmerge	0.087	0.040	0.531
Number of reflections	41702	4423	4075
<I/σ(I)>	10.18	25.6	2.3
Completeness [%]	98.4	96	99.1
Redundancy	3.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5.0000% polyethylene glycol 3000, 22.0000% polyethylene glycol 400, 10.0000% Glycerol, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, VAPOR DIFFUSION, SITTING DROP
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5.0000% polyethylene glycol 3000, 22.0000% polyethylene glycol 400, 10.0000% Glycerol, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, VAPOR DIFFUSION, SITTING DROP