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5KNJ

Pseudokinase Domain of MLKL bound to Compound 1.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]93
Detector technologyCCD
Collection date2015-12-07
DetectorRAYONIX MX-225
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths54.488, 90.879, 115.618
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution71.450 - 2.880
R-factor0.1955
Rwork0.193
R-free0.25550
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4mwi
RMSD bond length0.013
RMSD bond angle1.686
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]49.29049.2903.040
High resolution limit [Å]2.8809.1102.880
Rmerge0.1970.0760.868
Rmeas0.2130.0840.936
Rpim0.0790.0330.348
Total number of observations98117302513909
Number of reflections13598
<I/σ(I)>8.919.62.5
Completeness [%]100.099.6100
Redundancy7.26.27.1
CC(1/2)0.9900.9940.821
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72910.1M Na Citrate and 15% PEG3350

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