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4E5O

Crystal structure of mouse thymidylate synthase in complex with dUMP

Replaces:  3IHH
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX II BEAMLINE I911-5
Synchrotron siteMAX II
BeamlineI911-5
Temperature [K]100
Detector technologyCCD
Collection date2008-05-08
DetectorMAR CCD 165 mm
Wavelength(s)0.908
Spacegroup nameC 1 2 1
Unit cell lengths160.350, 88.540, 136.760
Unit cell angles90.00, 95.99, 90.00
Refinement procedure
Resolution19.950 - 1.700
R-factor0.2358
Rwork0.235
R-free0.29200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rts
RMSD bond length0.022
RMSD bond angle1.956
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (1.3.3)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]20.00020.0001.730
High resolution limit [Å]1.7004.6001.700
Rmerge0.0630.0470.993
Number of reflections207806
<I/σ(I)>16.9
Completeness [%]99.999.5100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP278K/Na Tartrate, PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 278K

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