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9KP9

PfDXR - Mn2+ - NADPH - TAKK443 quaternary complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-1A
Synchrotron sitePhoton Factory
BeamlineBL-1A
Temperature [K]100
Detector technologyPIXEL
Collection date2024-10-30
DetectorDECTRIS EIGER X 4M
Wavelength(s)1.012
Spacegroup nameP 31 2 1
Unit cell lengths92.498, 92.498, 105.120
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution80.110 - 2.130
R-factor0.16841
Rwork0.166
R-free0.20557
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.007
RMSD bond angle1.684
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]80.1102.170
High resolution limit [Å]2.1302.130
Rmerge0.1460.982
Rmeas0.1591.077
Rpim0.0600.429
Number of reflections294281440
<I/σ(I)>7.81.7
Completeness [%]99.5
Redundancy6.7
CC(1/2)0.9930.527
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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