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5HG8

EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]98
Detector technologyPIXEL
Collection date2012-04-19
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths39.932, 69.730, 110.610
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution58.990 - 1.420
R-factor0.208
Rwork0.208
R-free0.21300
RMSD bond length0.004
RMSD bond angle0.800
Data scaling softwareSCALA
Refinement softwareCNX (2005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]58.9901.500
High resolution limit [Å]1.4201.420
Rmerge0.490
Number of reflections58632
<I/σ(I)>152.9
Completeness [%]100.0100
Redundancy6.36.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2860.1 M (5.0 uL of stock 1.0 M) HEPES (pH 7.50), 0.2 M (2.8571428571 uL of stock 3.5 M) Ammonium sulfate, 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol

217705

數據於2024-03-27公開中

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