1QRG

A CLOSER LOOK AND THE ACTIVE SITE OF GAMMA-CARBONIC ANHYDRASES: HIGH RESOLUTION CRYSTALLOGRAPHIC STUDIES OF THE CARBONIC ANHYDRASE FROM METHANOSARCINA THERMOPHILA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-04-22
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	82.642, 82.642, 82.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.720
R-factor	0.191
Rwork	0.189
R-free	0.22700
Structure solution method	ISOMORPHOUS REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.780
High resolution limit [Å]	1.720	1.720
Rmerge	0.097	0.240
Total number of observations	128420 *
Number of reflections	19889
<I/σ(I)>	19
Completeness [%]	98.0	97.6
Redundancy	6.4	5.5

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	reservoir	PEG8000	5 (%)
2	1	reservoir	ammonium sulfate	0.5 (M)