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7HGA

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1980894300

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-05-19
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.918076
Spacegroup nameP 21 21 21
Unit cell lengths41.660, 41.949, 158.053
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.580 - 1.570
R-factor0.22434
Rwork0.222
R-free0.27161
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.810
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.5501.650
High resolution limit [Å]1.5701.570
Rmerge0.0811.548
Rmeas0.0891.719
Rpim0.0360.737
Total number of observations24005430766
Number of reflections394055755
<I/σ(I)>10.31.1
Completeness [%]98.2
Redundancy6.15.3
CC(1/2)0.9980.434
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.627728% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6

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