1G0E

SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 4-METHYLIMIDAZOLE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-28
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	42.142, 41.490, 72.063
Unit cell angles	90.00, 104.28, 90.00

Refinement procedure

Resolution	25.000 - 1.600
R-factor	179 *
Rwork	0.179
R-free	0.20000
RMSD bond length	0.005
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	25.000
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.107 *
Total number of observations	468251 *
Number of reflections	28456	2018 *
<I/σ(I)>	15.2
Completeness [%]	88.8	64.1 *
Redundancy	16.46	16.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	4 *	Ammonium Sulfate, Mercury Chloride, Tris HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (M)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop		1 (mM)
4	1	reservoir	ammonium sulfate	2.3-2.5 (M)
5	1	reservoir	Tris-HCl	50 (mM)
6	1	reservoir		1 (mM)