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5R9M

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13418a 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 date2015-12-11
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths45.989, 85.920, 126.719
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.251 - 1.809
R-factor0.1836
Rwork0.183
R-free0.19930
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6so1
Data reduction softwareXDS
Data scaling softwareAimless (0.5.17)
Phasing softwareREFMAC
Refinement softwarePHENIX (1.15.2_3472)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.25029.2501.860
High resolution limit [Å]1.8108.0901.810
Rmerge0.0460.0200.736
Rmeas0.0500.0220.802
Rpim0.0200.0090.314
Total number of observations303873359020510
Number of reflections46519
<I/σ(I)>22.7702.3
Completeness [%]99.597.695.8
Redundancy6.566.3
CC(1/2)1.0001.0000.779
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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