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9NJ7

Almonertinib in complex with WT EGFR

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-1
Synchrotron siteNSLS-II
Beamline17-ID-1
Temperature [K]100
Detector technologyPIXEL
Collection date2024-07-06
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.979338
Spacegroup nameI 2 3
Unit cell lengths145.390, 145.390, 145.390
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution51.400 - 2.530
R-factor0.2326
Rwork0.230
R-free0.28110
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.811
Data reduction softwareXDS (BUILT 20241002)
Data scaling softwareAimless (0.7.7)
Phasing softwarePHASER (2.8.3)
Refinement softwarePHENIX (1.21_5207)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]102.8062.578
High resolution limit [Å]2.5302.530
Rmerge0.1971.891
Rmeas0.2112.021
Number of reflections16285861
<I/σ(I)>7.41.4
Completeness [%]95.1
Redundancy8
CC(1/2)0.9930.390
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.1 mM MES, 1.0 M sodium citrate, 5 mM TCEP

248335

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