1JD0

CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-12
Detector	CUSTOM-MADE
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	146.875, 45.080, 85.232
Unit cell angles	90.00, 93.98, 90.00

Refinement procedure

Resolution	40.000 - 1.500
R-factor	0.19
Rwork	0.190
R-free	0.20700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.053	0.318
Total number of observations	636087 *
Number of reflections	89743 *
<I/σ(I)>	15.7	2.2
Completeness [%]	99.3	95.4
Redundancy	7.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	PEG 8000, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris sulfate	10 (mM)
3	1	reservoir	PEG8000	3-5 (%(w/v))
4	1	reservoir	sodium acetate	0.1 (M)