9EAT

High-Resolution Structure of Escherichia coli Carbonic Anhydrase 2 in Space Group P4(2)2(1)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 42 21 2
Unit cell lengths	67.524, 67.524, 85.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.750 - 1.430
R-factor	0.1568
Rwork	0.156
R-free	0.16740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.042
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]	47.770	1.480
High resolution limit [Å]	1.430	1.430
Rmeas	0.108	1.106
Number of reflections	69116	6625
<I/σ(I)>	13.1	1.4
Completeness [%]	99.5	95.5
Redundancy	6.41	3.58
CC(1/2)	0.998	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	100 mM HEPES pH 7.5, 200 mM lithium sulfate, 25% PEG 3350