1OKN

CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)]

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	93
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	? - 2.400
R-factor	0.153
Rwork	0.153
R-free	0.26800
RMSD bond length	0.008
RMSD bond angle	24.700 *
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]	2.400	0.100 *
Rmerge	0.051
Total number of observations	23619 *
Number of reflections	8797
Completeness [%]	88.5	89
Redundancy	2.2

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)