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2Q10

RESTRICTION ENDONUCLEASE BcnI (WILD TYPE)-COGNATE DNA SUBSTRATE COMPLEX

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyCCD
Collection date2006-10-04
DetectorMARRESEARCH
Spacegroup nameP 21 21 2
Unit cell lengths81.354, 87.551, 79.162
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.720 - 1.750
R-factor0.176
Rwork0.174
R-free0.21300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2odi
RMSD bond length0.011
RMSD bond angle1.350
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.840
High resolution limit [Å]1.7501.750
Number of reflections57635
<I/σ(I)>5.82.9
Completeness [%]99.9100
Redundancy3.23.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.62940.02 M CALCIUM CHLORIDE DIHYDRATE, 0.1 M SODIUM ACETATE TRIHYDRATE, 30% (V/V) 2-METHYL-2,4-PENTANEDIOL , pH 4.60, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111CALCIUM CHLORIDE DIHYDRATE
211SODIUM ACETATE TRIHYDRATE
3112-METHYL-2,4-PENTANEDIOL
412CALCIUM CHLORIDE DIHYDRATE
512SODIUM ACETATE TRIHYDRATE
6122-METHYL-2,4-PENTANEDIOL

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