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4CKR

Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1

Replaces:  4BKI
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyPIXEL
Collection date2013-04-19
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 41 21 2
Unit cell lengths59.308, 59.308, 178.490
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.400 - 2.200
R-factor0.20056
Rwork0.198
R-free0.24702
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3zos
RMSD bond length0.009
RMSD bond angle1.301
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.4002.270
High resolution limit [Å]2.2002.200
Rmerge0.1000.960
Number of reflections17062
<I/σ(I)>17.52.4
Completeness [%]100.0100
Redundancy119.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
121% PEG3350, 0.1M BIS-TRIS-PROPANE PH 7.2, 0.2M SODIUM/POTASSIUM PHOSPHATE

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