1FQR

X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	1998-11-16
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	42.000, 42.300, 72.400
Unit cell angles	90.00, 103.10, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.216
Rwork	0.216
R-free	0.27500
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.156
Total number of observations	45440 *
Number of reflections	15578
<I/σ(I)>	15.5
Completeness [%]	93.2	77.7
Redundancy	2.92	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	25 *	ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-SO4	50 (mM)
2	1	reservoir	ammonium sulfate	2.75-2.85 (M)
3	1	drop	protein	10 (mg/ml)