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2ZRA

MsRecA Q196E ATPgS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2006-11-20
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54
Spacegroup nameP 61
Unit cell lengths107.089, 107.089, 72.990
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.680 - 3.100
R-factor0.218
Rwork0.218
R-free0.27900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ubc
RMSD bond length0.010
RMSD bond angle1.800
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0003.270
High resolution limit [Å]3.1003.100
Rmerge0.1160.452
Number of reflections8701
<I/σ(I)>133
Completeness [%]99.299.9
Redundancy4.74.5
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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