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2W9G

Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-BM
Synchrotron siteAPS
Beamline17-BM
Temperature [K]273
Detector technologyCCD
Collection date2007-06-20
DetectorMARRESEARCH
Spacegroup nameP 61 2 2
Unit cell lengths79.287, 79.287, 106.254
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution68.680 - 1.950
R-factor0.214
Rwork0.211
R-free0.28700
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.020
RMSD bond angle1.984
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.020
High resolution limit [Å]1.9501.950
Rmerge0.0600.360
Number of reflections54341
<I/σ(I)>335.2
Completeness [%]99.999.9
Redundancy5.75.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.4BUFFER: 30 MM CITRIC ACID / 40 MM BIS-TRIS PROPANE PH6.4, 13.3% PEG3350, 16.7% PEG6000

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