3L14

Human Carbonic Anhydrase II complexed with Althiazide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Detector technology	CCD
Collection date	2009-10-15
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9780
Spacegroup name	P 1 21 1
Unit cell lengths	42.158, 41.396, 72.391
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	20.000 - 1.220
Rwork	0.130
R-free	0.17330
Structure solution method	AB INITIO
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.220	1.220
Number of reflections	65974
Completeness [%]	92.3
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	50 mM Tris-HCl, 1.3 M Sodium Citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K