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9PMZ

Icotinib in complex with wild-type EGFR

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-2
Synchrotron siteNSLS-II
Beamline17-ID-2
Temperature [K]100
Detector technologyPIXEL
Collection date2025-06-27
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.979338
Spacegroup nameI 2 3
Unit cell lengths144.281, 144.281, 144.281
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution51.010 - 2.330
R-factor0.212
Rwork0.211
R-free0.23440
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.104
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2_5419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]72.1412.367
High resolution limit [Å]2.3272.327
Rmerge0.2041.594
Rmeas0.2191.697
Rpim0.0770.581
Number of reflections215941075
<I/σ(I)>6.51.3
Completeness [%]100.0100
Redundancy8.18.4
CC(1/2)0.9940.373
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.1 M MES, 1 M sodium citrate, 5 mM TCEP

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