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9JZ9

PfDXR - Mn2+ - MAMK218 ternary 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 date2022-06-19
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9
Spacegroup nameP 1 21 1
Unit cell lengths51.934, 77.572, 111.659
Unit cell angles90.00, 93.20, 90.00
Refinement procedure
Resolution46.040 - 1.330
R-factor0.17047
Rwork0.169
R-free0.18993
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.011
RMSD bond angle1.930
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.0401.350
High resolution limit [Å]1.3301.330
Number of reflections2010139331
<I/σ(I)>8
Completeness [%]98.8
Redundancy3
CC(1/2)0.9950.556
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1 M Tris-HCl pH 8.0, 20%(w/v) PEG6000, and 0.2 M CaCl2

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