1QRL

A CLOSER LOOK AT 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	1998-05-03
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	82.513, 82.513, 82.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.186
Rwork	0.183
R-free	0.23600
Structure solution method	ISOMORPHOUS REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.910
High resolution limit [Å]	1.850	1.850
Rmerge	0.050	0.238
Total number of observations	55426 *
Number of reflections	15570
<I/σ(I)>	16
Completeness [%]	96.9	82.3
Redundancy	3.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2 *	22 *	PEG8000 ammonium sulfate, bicarbonate, 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)