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2ZRF

MsRecA Q196N dATP form IV

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2007-06-18
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54
Spacegroup nameP 61
Unit cell lengths102.090, 102.090, 75.230
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution29.470 - 3.000
R-factor0.219
Rwork0.219
R-free0.27100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ubc
RMSD bond length0.009
RMSD bond angle2.200
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0003.160
High resolution limit [Å]3.0003.000
Rmerge0.1300.488
Number of reflections8662
<I/σ(I)>10.32.4
Completeness [%]95.897.5
Redundancy3.83.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.929680mM citrate/phosphate buffer(pH 6.9), 80mM NaCl, 40mM ammonium acetate, 20mM sodium citrate, 6% poly-ethylene glycol 3350, 30% poly-ethylene glycol 3350, 200mM ammonium acetate in sodium citrate buffer(PH 5.8), VAPOR DIFFUSION, HANGING DROP, temperature 296K

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