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6W7K

Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2018-06-09
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0000
Spacegroup nameP 21 21 21
Unit cell lengths49.974, 105.028, 193.590
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.398 - 1.700
R-factor0.1886
Rwork0.187
R-free0.21900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6dhu
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.16_3549)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.730
High resolution limit [Å]1.7001.700
Rmerge0.0591.059
Rmeas0.0870.980
Rpim0.0360.403
Number of reflections1087805192
<I/σ(I)>26.52.2
Completeness [%]95.4
Redundancy5.3
CC(1/2)0.714
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52920.1M MOPS/HEPES-Na pH 7.5 10% w/v PEG 8000 20% v/v ethylene glycol 0.03 M sodium fluoride 0.03 M sodium bromide 0.03 M sodium iodide

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