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1CWO

HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN

Experimental procedure
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR571
Temperature [K]293
Detector technologyDIFFRACTOMETER
Collection date1994-11-01
DetectorENRAF-NONIUS FAST
Spacegroup nameP 21 21 21
Unit cell lengths36.410, 57.440, 71.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 1.860
R-factor0.167

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R-free0.21500

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1cwa
RMSD bond length0.012
RMSD bond angle1.590
Data reduction softwareXENGEN
Data scaling softwareCCP4
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 Overall
High resolution limit [Å]1.900
Rmerge0.077
Total number of observations57971

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Number of reflections11317
Completeness [%]91.1
Redundancy5.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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8.2used to cross-seeding

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropTris-HCl50 (mM)
101reservoir0.02 (%)
21dropPEG800010 (%(w/v))
31dropDMSO2 (%(v/v))
41drop0.02 (%(w/v))
51dropCypA0.5 (mM)
61droppeptolide0.5 (mM)
71reservoirTris-HCl100 (mM)
81reservoirPEG800020 (%)
91reservoirDMSO5 (%)

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