1FQN

X-RAY CRYSTAL STRUCTURE OF METAL-FREE 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	1998-08-13
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	41.700, 41.140, 71.980
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.189
Rwork	0.189
R-free	0.27900
RMSD bond length	0.017 *
RMSD bond angle	26.200 *
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	0.068	0.309
Total number of observations	50550 *
Number of reflections	16220
<I/σ(I)>	8.4
Completeness [%]	99.3	94
Redundancy	3.1	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)