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9KXJ

Crystal structure of the PIN1 and fragment 53 complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNFPSS BEAMLINE BL19U1
Synchrotron siteNFPSS
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2024-06-02
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9793
Spacegroup nameP 31 2 1
Unit cell lengths68.980, 68.980, 78.920
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution34.490 - 1.570
R-factor0.2136
Rwork0.212
R-free0.23530
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.021
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.19_4092: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.4601.610
High resolution limit [Å]1.5701.570
Rmerge0.1182.109
Rmeas0.1222.166
Rpim0.0280.489
Total number of observations56522543954
Number of reflections306882265
<I/σ(I)>20.21.7
Completeness [%]99.4
Redundancy18.419.4
CC(1/2)1.0000.851
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION2772.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400

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