1OKM

CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE

Experimental procedure

Source type	ROTATING ANODE
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU
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	? - 2.200
R-factor	0.162
Rwork	0.162
R-free	0.21700
RMSD bond length	0.005
RMSD bond angle	24.600 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.200	0.100 *
Rmerge	0.027
Total number of observations	49326 *
Number of reflections	13684
Completeness [%]	99.0	97
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	24 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	CAII
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	methyl mercuric acetate		0.005ml saturated
4	1	drop	ammonium sulfate	0.875-1.25 (M)
5	1	reservoir	ammonium sulfate	3.5-5.0 (M)
6	1	reservoir	Tris-HCl	100 (mM)