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8HGD

Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-10-14
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.979
Spacegroup nameP 1 21 1
Unit cell lengths44.150, 103.369, 52.489
Unit cell angles90.00, 112.28, 90.00
Refinement procedure
Resolution31.380 - 1.530
R-factor0.1697
Rwork0.169
R-free0.18460
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5fyg
RMSD bond length0.007
RMSD bond angle0.898
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHENIX (1.18.2)
Refinement softwarePHENIX (1.18.2)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.560
High resolution limit [Å]1.5304.1501.530
Rmerge0.0410.0270.219
Rmeas0.049
Rpim0.026
Number of reflections6501732973133
<I/σ(I)>23.2
Completeness [%]99.398.596.1
Redundancy3.23.32.6
CC(1/2)0.9960.9970.916
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72910.2 M (NH4)2SO4, 0.1 M HEPES 7.0, 26% PEG3350

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