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7FUS

PanDDA analysis group deposition -- PHIP in complex with Z44602363

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-09-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.92124
Spacegroup nameC 1 2 1
Unit cell lengths81.985, 27.444, 56.432
Unit cell angles90.00, 99.88, 90.00
Refinement procedure
Resolution55.590 - 1.150
R-factor0.2121
Rwork0.211
R-free0.22780
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)7av9
RMSD bond length0.016
RMSD bond angle1.712
Data reduction softwareXDS
Data scaling softwareAimless (0.7.7)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0403)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]55.60055.6001.170
High resolution limit [Å]1.1506.3001.150
Rmerge0.0680.097
Rmeas0.0740.107
Rpim0.0290.045
Total number of observations1742731790131
Number of reflections33659
<I/σ(I)>16.939.30.9
Completeness [%]75.799.86
Redundancy5.25.91
CC(1/2)0.9950.972
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.627720% PEG 8000, 0.04M potassium phosphate

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