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1CIL

THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS

Experimental procedure
Spacegroup nameP 1 21 1
Unit cell lengths42.870, 42.130, 72.920
Unit cell angles90.00, 104.55, 90.00
Refinement procedure
Resolution6.000

*

- 1.600
R-factor0.174

*

RMSD bond length0.012

*

RMSD bond angle2.650

*

Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 Overall
High resolution limit [Å]1.600

*

Rmerge0.030

*

Total number of observations57372

*

Number of reflections31790

*

Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

8

*

4

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein19 (mg/ml)
21drop150 (mM)
31dropTris50 (mM)
41drop3 (mM)
51reservoirammonium sulfate52-58 (%sat)
61reservoirTris-HCl50 (mM)
71reservoir3 (mM)

229380

PDB entries from 2024-12-25

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