3CA2

CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	42.700, 41.700, 73.000
Unit cell angles	90.00, 104.60, 90.00

Refinement procedure

Resolution	? - 2.000
R-factor	0.192
RMSD bond length	0.028
RMSD bond angle	0.041
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	7.000 *
High resolution limit [Å]	2.000 *
Number of reflections	15585 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	1 (%)
2	1	1	Tris-HCl	0.05 (M)
3	1	2	ammonium sulfate	0.3-0.5 (M)