1ZFK

carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2005-02-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.490, 41.510, 72.410
Unit cell angles	90.00, 104.45, 90.00

Refinement procedure

Resolution	10.000 - 1.560
R-factor	0.1644
Rwork	0.161
R-free	0.22370
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.027
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.590
High resolution limit [Å]	1.560	1.560
Number of reflections	32665
<I/σ(I)>	14.9	5
Completeness [%]	93.1	74.4
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	cocrystallization	8	277	ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris HCl , pH 8.0, cocrystallization, temperature 277K