1CAN

CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS

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	? - 1.900
R-factor	0.141
RMSD bond length	0.021
RMSD bond angle	3.400
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Rmerge	0.058 *
Total number of observations	55815 *
Number of reflections	19792 *
Completeness [%]	90.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8.5 *	0-5 *	referred to 'Tilander,B.', (1965) J.Mol.Biol., 12, 740. *

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)