1FQL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-10-06
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	42.600, 41.900, 72.700
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.179 *
Rwork	0.179
R-free	0.25500
RMSD bond length	0.013
RMSD bond angle	1.800
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	0.079	0.149
Total number of observations	47685 *
Number of reflections	15913
<I/σ(I)>	12.6
Completeness [%]	94.9	88.3
Redundancy	3	2.6

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)