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6C3H

The crystal structure of 4-n-heptylbenzoate-bound CYP199A4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
Collection date2016-04-19
DetectorADSC QUANTUM 210r
Wavelength(s)1
Spacegroup nameP 1 21 1
Unit cell lengths44.539, 51.392, 78.538
Unit cell angles90.00, 92.65, 90.00
Refinement procedure
Resolution44.491 - 1.705
R-factor0.1756
Rwork0.174
R-free0.21110
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5kdb
RMSD bond length0.012
RMSD bond angle1.336
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.5.7)
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.4911.751
High resolution limit [Å]1.7051.705
Rmerge0.1420.777
Rpim0.0820.482
Number of reflections38417
<I/σ(I)>19.7
Completeness [%]99.4
Redundancy4.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.5289.15McAc, 0.2M Bis-Tris, 0.1M, pH 5.5 PEG-3350, 26 % w/v

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건을2024-03-27부터공개중

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