1G5C

CRYSTAL STRUCTURE OF THE 'CAB' TYPE BETA CLASS CARBONIC ANHYDRASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	113
Detector technology	CCD
Collection date	2000-05-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.282, 1.2832, 1.0333
Spacegroup name	P 21 21 21
Unit cell lengths	54.670, 113.210, 156.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.100
Rwork	0.211
R-free	0.24600 *
Structure solution method	MAD
RMSD bond length	0.014 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.063	0.243
Total number of observations	208917 *
Number of reflections	57495 *
<I/σ(I)>	21	5.7
Completeness [%]	98.8	98.2 *
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	35% Ethanol, 12 % MPD, 50 mM Calcium Acetate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	HEPES	100 (mM)
3	1	reservoir	ethanol	35 (%)
4	1	reservoir	MPD	12 (%)
5	1	reservoir	calcium acetate	50 (mM)