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9O3B

PKM2 bound to MCTI-566

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2022-12-15
DetectorMAR CCD 300 mm
Wavelength(s)0.97872
Spacegroup nameP 1
Unit cell lengths80.807, 93.855, 153.660
Unit cell angles89.73, 89.68, 75.79
Refinement procedure
Resolution45.490 - 2.416
R-factor0.1878
Rwork0.186
R-free0.22630
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.900
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareBUSTER (2.10.4 (8-JUN-2022))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.460
High resolution limit [Å]2.4166.5602.420
Rmerge0.0720.0220.922
Rmeas0.0840.0261.071
Rpim0.0420.0130.542
Number of reflections16500583308245
<I/σ(I)>9.3
Completeness [%]98.699.397.8
Redundancy3.93.83.8
CC(1/2)0.9910.9970.607
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52935 uL of protein complex solution and 5 uL of well solution containing 0.1 M MES pH 6.5 and 25% polyethylene glycol 6000.

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