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1CCT

STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY

Experimental procedure
Spacegroup nameP 1 21 1
Unit cell lengths42.700, 41.700, 73.000
Unit cell angles90.00, 104.60, 90.00
Refinement procedure
Resolution7.000 - 2.200
R-factor0.178
RMSD bond length0.014
RMSD bond angle0.034
Refinement softwarePROLSQ
Data quality characteristics
 Overall
High resolution limit [Å]2.200

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Rmerge0.082

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Total number of observations24475

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Number of reflections10014

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

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8

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropenzyme0.3 (mM)
21dropTris-HCl50 (mM)
31drop150 (mM)
41drop3 (mM)
51reservoirTris-HCl50 (mM)
61reservoir150 (mM)
71reservoir3 (mM)
81reservoirammonium sulfate1.75-2.5 (M)

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PDB entries from 2024-10-30

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