1CIN

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

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	42.830, 42.040, 72.620
Unit cell angles	90.00, 104.78, 90.00

Refinement procedure

Resolution	6.000 * - 2.100
R-factor	0.172 *
RMSD bond length	0.011 *
RMSD bond angle	2.800 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.078 *
Total number of observations	32557 *
Number of reflections	21019 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	19 (mg/ml)
2	1	drop		150 (mM)
3	1	drop	Tris	50 (mM)
4	1	drop		3 (mM)
5	1	reservoir	ammonium sulfate	62-67 (%sat)