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5R9F

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2016-04-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths46.052, 85.712, 126.728
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.260 - 1.986
R-factor0.1767
Rwork0.176
R-free0.19860
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6so1
Data reduction softwareXDS
Data scaling softwareAimless (0.5.23)
Phasing softwareREFMAC
Refinement softwarePHENIX (1.15.2_3472)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.26029.2602.040
High resolution limit [Å]1.9908.8801.990
Rmerge0.0860.0370.796
Rmeas0.0940.0410.865
Rpim0.0370.0170.334
Total number of observations228163264315588
Number of reflections35226
<I/σ(I)>14412
Completeness [%]99.39794.8
Redundancy6.55.86.4
CC(1/2)0.9980.9990.762
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.929127.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol

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