9EAW

Escherichia coli Carbonic Anhydrase 2 in Space Group P2(1)2(1)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	78.233, 104.516, 48.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 2.260
R-factor	0.2041
Rwork	0.198
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.953
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.340
High resolution limit [Å]	2.260	2.260
Number of reflections	19166	1873
<I/σ(I)>	7.6
Completeness [%]	99.8
Redundancy	5.9
CC(1/2)	0.988	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM magnesium acetate, 20% PEG 3350