1QRM

A CLOSER LOOK AT THE ACTIVE SITE OF GAMMA-CARBONIC ANHYDRASES: HIGH RESOLUTION CRYSTAL STRUCTURES OF THE CARBONIC ANHYDRASE FROM METHANOSARCINA THERMOPHILA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-01-31
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 3
Unit cell lengths	82.683, 82.683, 82.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.194
Rwork	0.189
R-free	0.23600
Structure solution method	isomorphous replacement
RMSD bond length	0.019
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.010
High resolution limit [Å]	1.950	1.950
Rmerge	0.081	0.284
Total number of observations	51109 *
Number of reflections	13667
<I/σ(I)>	14
Completeness [%]	97.5	95
Redundancy	3.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2 *	22 *	PEG 8000, ammonium sulfate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	phosphate	5 (mM)
3	1	reservoir	PEG8000	3 (%)
4	1	reservoir	ammonium sulfate	0.1 (M)