9EBZ

Escherichia coli Carbonic Anhydrase 2 in Space Group C222(1)

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	C 2 2 21
Unit cell lengths	113.227, 119.145, 161.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 2.660
R-factor	0.2624
Rwork	0.261
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.649
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]	47.890	2.730
High resolution limit [Å]	2.660	2.660
Number of reflections	31559	3099
<I/σ(I)>	6
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.994	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM ammonium tartrate dibasic, 20% PEG 3350