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4F9Y

Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2011-10-09
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97857
Spacegroup nameP 21 21 21
Unit cell lengths66.529, 74.834, 78.270
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution33.760 - 1.850
R-factor0.16871
Rwork0.167
R-free0.19999
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.364
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.880
High resolution limit [Å]1.8501.850
Rmerge0.0390.537
Number of reflections34190
<I/σ(I)>3.81
Completeness [%]99.999.9
Redundancy7.37.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.52950.1M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 295K

222036

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