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9CV8

Crystal Structure of Cytochrome P450 NysL bound to nystatin

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyPIXEL
Collection date2021-10-31
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.979460
Spacegroup nameP 31 2 1
Unit cell lengths136.290, 136.290, 135.600
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution37.790 - 2.000
R-factor0.1901
Rwork0.189
R-free0.21530
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.057
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (v1.18-3845-000)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]37.7902.072
High resolution limit [Å]2.0002.000
Rmerge0.1731.030
Rmeas0.1811.000
Rpim0.0530.320
Number of reflections982549674
<I/σ(I)>18.251.65
Completeness [%]99.8
Redundancy9.12.1
CC(1/2)0.9950.906
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP298100 mM Bis-tris propane (pH 7), 1.5 M lithium sulfate

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