7O4Z

Crystal structure of the carbonic anhydrase-like domain of CcmM from Synechococcus elongatus (strain PCC 7942)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87313
Spacegroup name	H 3 2
Unit cell lengths	89.741, 89.741, 130.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.810 - 1.670
R-factor	0.1656
Rwork	0.164
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kwc
RMSD bond length	0.015
RMSD bond angle	1.948
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.812	1.696
High resolution limit [Å]	1.667	1.667
Rmerge	0.081	0.960
Rpim	0.028	0.319
Number of reflections	23881	1198
<I/σ(I)>	13.8	2.3
Completeness [%]	99.9	100
Redundancy	9.7	10
CC(1/2)	0.998	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG-3350 and 0.1 M HEPES pH 7.5