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7M0T

Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib

Replaces:  6V32
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2019-11-13
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.979
Spacegroup nameP 31 2 1
Unit cell lengths116.964, 116.964, 129.733
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution43.435 - 3.190
R-factor0.1991
Rwork0.197
R-free0.25390
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6pp9
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASES
Refinement softwarePHENIX (1.19_4092)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.4403.304
High resolution limit [Å]3.1903.190
Rmerge0.138
Rmeas0.153
Rpim0.0660.605
Number of reflections175051733
<I/σ(I)>10.92
Completeness [%]99.8100
Redundancy9.810
CC(1/2)0.9960.743
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5293100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3350

223532

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