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3APY

Properties and crystal structure of methylenetetrahydrofolate reductase from Thermus thermophilus HB8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron sitePhoton Factory
BeamlineAR-NW12A
Temperature [K]100
Detector technologyCCD
Collection date2010-06-29
DetectorADSC QUANTUM 210r
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths116.588, 90.930, 125.152
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.960 - 2.800
R-factor0.20869
Rwork0.204
R-free0.30586
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1v93
RMSD bond length0.014
RMSD bond angle1.572
Data reduction softwareDENZO
Data scaling softwareHKL-2000
Phasing softwareMOLREP (10.2.31)
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 Overall
Low resolution limit [Å]19.960
High resolution limit [Å]2.570
Number of reflections72447
Completeness [%]91.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82930.1M Tris-HCl, 0.2M Ammonium Sulfate, 20-25% PEG 4000, 5% GLYCEROL , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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