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8ZXX

PfDXR - Mn2+ - NADPH - TAKK442 quaternary complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44XU
Synchrotron siteSPring-8
BeamlineBL44XU
Temperature [K]100
Detector technologyPIXEL
Collection date2023-07-28
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.90000
Spacegroup nameP 31 2 1
Unit cell lengths92.616, 92.616, 105.043
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution42.370 - 1.230
R-factor0.16747
Rwork0.167
R-free0.17804
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.924
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.3701.250
High resolution limit [Å]1.2301.230
Rmerge0.1180.950
Rmeas0.1361.097
Rpim0.0660.543
Number of reflections1506367387
<I/σ(I)>6.41.3
Completeness [%]99.898.1
Redundancy44
CC(1/2)0.9840.538
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.08 M MES-NaOH pH 6.0, 16%(w/v) PEG6000, and 0.16 M NaCl

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