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4JM6

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]80
Detector technologyCCD
Collection date2009-06-16
DetectorADSC QUANTUM 315r
Spacegroup nameP 21 21 21
Unit cell lengths50.846, 75.575, 106.693
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.230 - 1.450
R-factor0.1163
Rwork0.115
R-free0.14480
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.019
RMSD bond angle1.741
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 Overall
Low resolution limit [Å]61.660
High resolution limit [Å]1.450
Number of reflections72171
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16283Apo crystal grown in 500mM MES, pH 6.0. Soaked into 50mM 2,4-diaminopyrimidine, 25% MPD pH 4.5 (30min-1h), temperature 283K

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