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7XZU

Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-phenylalanine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-5A
Synchrotron sitePhoton Factory
BeamlineBL-5A
Temperature [K]95
Detector technologyPIXEL
Collection date2020-02-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 41 21 2
Unit cell lengths67.402, 67.402, 140.766
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.680 - 1.600
R-factor0.2063
Rwork0.206
R-free0.21980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4huo
RMSD bond length0.007
RMSD bond angle1.160
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0131)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]60.79246.9221.690
High resolution limit [Å]1.6005.0601.600
Rmerge0.0151.131
Rmeas0.0440.0161.175
Rpim0.0120.0050.319
Total number of observations5624881781082816
Number of reflections4374515886255
<I/σ(I)>34117.92.8
Completeness [%]100.099.8100
Redundancy12.911.213.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4296PEG 2000, Lithium sulfate, Sodium acetate

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