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3KNY

Crystal structure of a two domain protein with unknown function (bt_3535) from bacteroides thetaiotaomicron vpi-5482 at 2.60 A resolution

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2009-07-08
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.91162,0.97941
Spacegroup nameP 64 2 2
Unit cell lengths120.029, 120.029, 94.767
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.831 - 2.600
R-factor0.204
Rwork0.202
R-free0.23900
Structure solution methodMAD
RMSD bond length0.015
RMSD bond angle1.536
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.5)
Phasing softwareSHELX
Refinement softwareREFMAC (5.5.0053)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]28.83128.8302.670
High resolution limit [Å]2.60011.6302.600
Rmerge0.1240.0110.011
Total number of observations139810029
Number of reflections12900
<I/σ(I)>16.712.40.7
Completeness [%]99.993.8100
Redundancy10.5810.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.9327740.9000% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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