1QRE

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	1997-08-11
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	82.581, 82.581, 82.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.460
R-factor	0.186
Rwork	0.185
R-free	0.20600
Structure solution method	ISOMORPHOUS REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.510
High resolution limit [Å]	1.460	1.460
Rmerge	0.055	0.297
Total number of observations	128698 *
Number of reflections	32731
<I/σ(I)>	20
Completeness [%]	99.4	99.1
Redundancy	3.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2 *	22 *	PEG 8000, amonium 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	5 (%)
4	1	reservoir	ammonium sulfate	0.5 (M)