8THM

Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	104.314, 181.848, 190.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.510 - 2.300
R-factor	0.1958
Rwork	0.193
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.260	5.093
Rmeas	0.271	5.302
Rpim	0.077	1.468
Total number of observations	1970240	100213
Number of reflections	160617	7868
<I/σ(I)>	8.1	0.7
Completeness [%]	100.0
Redundancy	12.3	12.7
CC(1/2)	0.997	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.2M Ammonium sulfate, 0.1M BIS-TRIS (pH 6.5), 21% PEG 3350, 15% Ethylene glycol