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4ASD

Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU2000
Temperature [K]81
Detector technologyIMAGE PLATE
Collection date2007-12-05
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths135.818, 56.479, 52.052
Unit cell angles90.00, 95.42, 90.00
Refinement procedure
Resolution15.000 - 2.030
R-factor0.17831
Rwork0.175
R-free0.23022
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ag8
RMSD bond length0.012
RMSD bond angle1.303
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCCP4
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.090
High resolution limit [Å]2.0202.020
Rmerge0.0400.130
Number of reflections23908
<I/σ(I)>386
Completeness [%]92.243.6
Redundancy3.71.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.2286CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION METHOD AT 13 DEGREES C USING PRECIPITANT SOLUTIONS CONTAINING APPROXIMATELY: 0.2M SODIUM CITRATE AND 14-21% (W/V) POLYETHYLENE GLYCOL 3350., pH 6.2

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