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7FS4

Structure of liver pyruvate kinase in complex with allosteric modulator 16

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2021-10-15
DetectorDECTRIS EIGER2 X 16M
Wavelength(s)0.9795
Spacegroup nameC 1 2 1
Unit cell lengths208.146, 113.021, 188.617
Unit cell angles90.00, 91.93, 90.00
Refinement procedure
Resolution188.510 - 2.190
R-factor0.2087
Rwork0.207
R-free0.23560
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.900
Data reduction softwareXDS
Data scaling softwareSTARANISO
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4 (16-JUL-2021))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]188.510188.5102.381
High resolution limit [Å]2.1906.5522.190
Rmerge0.1430.0381.744
Rpim0.0440.0120.538
Total number of observations1985531
Number of reflections17212986058606
<I/σ(I)>12.237.21.6
Completeness [%]94.8
Redundancy11.511.611.4
CC(1/2)0.9991.0000.638
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5291100 mM HEPES/MOPS, 10% PEG8000, 20% ethylene glycol, 10 mM phenylalanine, 20 mM sodium oxalate

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