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4AAA

Crystal structure of the human CDKL2 kinase domain

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyCCD
Collection date2011-10-21
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths67.819, 70.220, 83.660
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution53.780 - 1.530
R-factor0.18178
Rwork0.180
R-free0.20820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3niz
RMSD bond length0.014
RMSD bond angle1.563
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.1401.690
High resolution limit [Å]1.6001.600
Rmerge0.1401.140
Number of reflections53461
<I/σ(I)>13.42.1
Completeness [%]100.0100
Redundancy13.77.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
10.2M NACL, 0.1M TRIS PH 8.5; 25% PEG 3350.

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