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1LOP

CYCLOPHILIN A COMPLEXED WITH SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE

Experimental procedure
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-6A
Synchrotron sitePhoton Factory
BeamlineBL-6A
Temperature [K]288
Detector technologyIMAGE PLATE
DetectorRIGAKU
Spacegroup nameP 21 21 21
Unit cell lengths66.330, 68.230, 40.030
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution5.000 - 1.800
R-factor0.176
Rwork0.176
Structure solution methodMULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length0.014
RMSD bond angle2.700
Data reduction softwareWEIS
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 Overall
High resolution limit [Å]1.800
Rmerge0.069
Total number of observations67183

*

Number of reflections13690
Completeness [%]79.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

820

*

pH 8.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein0.5 (mM)
21droptripeptide6 (mM)
31dropmethanol10 (%)
41dropammonium sulfate38 (%sat)
51dropTris-HCl10 (mM)
61reservoirammonium sulfate46 (%sat)
71reservoirTris-HCl10 (mM)

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PDB entries from 2024-05-15

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