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7LGS

Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.3
Synchrotron siteALS
Beamline5.0.3
Temperature [K]100
Detector technologyCCD
Collection date2019-05-08
DetectorADSC QUANTUM 4r
Wavelength(s)0.987
Spacegroup nameP 1 21 1
Unit cell lengths60.659, 132.100, 85.805
Unit cell angles90.00, 91.40, 90.00
Refinement procedure
Resolution49.010 - 3.100
R-factor0.241
Rwork0.238
R-free0.30530
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4lrm
RMSD bond length0.002
RMSD bond angle0.892
Data reduction softwareDENZO
Data scaling softwareAimless (0.7.3)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0257)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]49.01046.9203.120
High resolution limit [Å]2.9408.8202.940
Rmerge0.2690.0452.073
Rmeas0.3130.0522.412
Rpim0.1600.0271.227
Total number of observations400017566
Number of reflections2858310914592
<I/σ(I)>416.20.8
Completeness [%]99.398.799.1
Redundancy3.83.73.8
CC(1/2)0.9890.9980.409
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29320% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5

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