1FSN

X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93S/F95L/W97M 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	1999-07-04
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	42.240, 43.870, 66.630
Unit cell angles	87.01, 89.90, 75.96

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.244
Rwork	0.244
R-free	0.29100
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	0.054	0.237
Total number of observations	100913 *
Number of reflections	29335
<I/σ(I)>	8.8
Completeness [%]	93.8	78.2
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	25 *	HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	HEPES	100 (mM)
3	1	reservoir	PEG1500	25 (%)