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6BD7

Crystal structure of human CYP3A4 bound to an inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]103
Detector technologyCCD
Collection date2017-04-14
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.98
Spacegroup nameI 2 2 2
Unit cell lengths77.559, 102.800, 128.570
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution51.400 - 2.420
R-factor0.1957
Rwork0.193
R-free0.26410
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5vcc
RMSD bond length0.009
RMSD bond angle1.142
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((1.11.1_2575))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]80.2902.550
High resolution limit [Å]2.4202.420
Rmerge0.0561.971
Rpim0.0290.951
Number of reflections196402820
<I/σ(I)>9.40.6
Completeness [%]98.799.2
Redundancy4.85
CC(1/2)0.9980.309
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH6.7293PEG 3350, malonate

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PDB entries from 2024-11-06

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