1OKL

CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
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	? - 2.100
R-factor	0.185
Rwork	0.185
R-free	0.23300
RMSD bond length	0.007
RMSD bond angle	25.100 *
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]	2.100	0.100 *
Rmerge	0.046 *	0.048
Total number of observations	31565 *
Number of reflections	14469 *
Completeness [%]	96.0	77
Redundancy	2.2

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	CAII-dansylamide
2	1	drop	Tris-HCl	25 (mM)
3	1	drop	ammonium sulfate	0.875-1.25 (M)
4	1	drop	Tris-HCl	25 (mM)
5	1	reservoir	ammonium sulfate	1.75-2.5 (M)
6	1	reservoir	Tris-HCl	50 (mM)