1CA3

UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II.

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	6.500 * - 2.300
R-factor	0.168
RMSD bond length	0.014
RMSD bond angle	1.200
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.300 *
Total number of observations	17568 *
Number of reflections	7192 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	0.3 (mM)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop		150 (mM)
4	1	drop		3 (mM)
5	1	reservoir	Tris-HCl	50 (mM)
6	1	reservoir		150 (mM)
7	1	reservoir		3 (mM)
8	1	reservoir	ammonium sulfate	2.2 (M)