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4KKY

Crystal structure of N-(1-Pyrene)acetamide labeled P450cam in substrate bound form.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]77
Detector technologyCCD
Collection date2013-01-24
DetectorADSC QUANTUM 315r
Spacegroup nameP 1 21 1
Unit cell lengths35.950, 101.990, 57.350
Unit cell angles90.00, 101.73, 90.00
Refinement procedure
Resolution33.270 - 2.000
R-factor0.16992
Rwork0.170
R-free0.22532
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.018
RMSD bond angle2.403
Data reduction softwareMOSFLM
Phasing softwareCCP4
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 Overall
Low resolution limit [Å]33.273
High resolution limit [Å]2.000
Number of reflections27318
Completeness [%]73.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5287.1520% PEG 8000, 0.2M potassium Chloride, 0.05M Bis-tris Buffer. 1mM camphor., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 287.15K

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