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3GHV

Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]200
Detector technologyCCD
Collection date2008-06-13
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.9422
Spacegroup nameH 3
Unit cell lengths84.210, 84.210, 78.030
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution53.300 - 1.300
R-factor0.16024
Rwork0.159
R-free0.18293
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1u70
RMSD bond length0.029
RMSD bond angle2.562
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0088)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]53.3001.370
High resolution limit [Å]1.3001.300
Rmerge0.0550.109
Number of reflections48184
<I/σ(I)>11.2
Completeness [%]100.0100
Redundancy7.75.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.9298100 mM KPo4, pH 6.9, 30% AmSO4, 3% v/v ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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