1BCD

X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE

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	? - 1.930 *
R-factor	0.154
RMSD bond length	0.020
RMSD bond angle	0.039 *
Refinement software	PROFFT

Data quality characteristics

	Overall
Low resolution limit [Å]	3.500 *
High resolution limit [Å]	1.930 *
Rmerge	0.083 *
Total number of observations	46466 *
Number of reflections	16783 *
Completeness [%]	88.2 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	2.4 (M)
2	1	1	Tris-HCl	50 (mM)
3	1	1		1 (mM)