4ILX

Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5
Spacegroup name	P 1 21 1
Unit cell lengths	42.382, 41.354, 72.096
Unit cell angles	90.00, 104.10, 90.00

Refinement procedure

Resolution	26.699 - 1.600
R-factor	0.1505
Rwork	0.149
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.135
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Completeness [%]	91.7	87.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.6M sodium citrate tris buffer pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K