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3GCS

Human P38 MAP kinase in complex with Sorafenib

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-06-24
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54170
Spacegroup nameP 21 21 21
Unit cell lengths67.480, 69.850, 74.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.920 - 2.100
R-factor0.204
Rwork0.202
R-free0.26200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zyj
RMSD bond length0.014
RMSD bond angle1.558
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.200
High resolution limit [Å]2.1002.100
Rmerge0.0840.279
Number of reflections21058
<I/σ(I)>19.255.42
Completeness [%]99.197.2
Redundancy4.284.22
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.9293100 mM MES, 20-30% PEG 4000, 50 mM n-beta-octyl-glucoside, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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