1AM6

CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995-12
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	42.700, 41.700, 73.000
Unit cell angles	90.00, 92.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.16
Rwork	0.160
R-free	0.22000
Structure solution method	DIFFERENCE FOURIER
RMSD bond length	0.008
RMSD bond angle	25.200 *
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
Low resolution limit [Å]	12.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.045 *	0.110 *
Number of reflections	15080
<I/σ(I)>	6.4	5
Completeness [%]	93.1	92
Redundancy	2.4	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8		drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)
2	1	reservoir	Tris/HCl	50 (mM)
3	1	reservoir	ammonium sulfate	1.95-3.9 (M)