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4L8N

Crystal structure of a PDZ domain protein (BDI_1242) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-05-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97882,0.91837
Spacegroup nameP 31 2 1
Unit cell lengths104.093, 104.093, 96.277
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution48.138 - 2.500
R-factor0.1879
Rwork0.186
R-free0.21950
Structure solution methodMAD
RMSD bond length0.010
RMSD bond angle1.080
Data reduction softwareXDS
Data scaling softwareXSCALE (July 4, 2012)
Phasing softwareSHELX
Refinement softwareBUSTER-TNT (2.10.0)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.13848.1402.570
High resolution limit [Å]2.50011.1802.500
Rmerge0.0670.0301.147
Number of reflections212152821544
<I/σ(I)>16.4648.21.58
Completeness [%]99.597.699.5
Redundancy6.556.66
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP827742.00% Ethanol, 0.0500M magnesium chloride, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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