8GPP

Acinetobacter baumannii carbonic anhydrase PaaY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	51.073, 93.123, 56.445
Unit cell angles	90.00, 109.41, 90.00

Refinement procedure

Resolution	48.170 - 2.090
R-factor	0.2008
Rwork	0.197
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gpm
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.170
High resolution limit [Å]	2.090	2.090
Rmerge	0.134	1.439
Number of reflections	28739	2509
<I/σ(I)>	10.14
Completeness [%]	97.5
Redundancy	6.6
CC(1/2)	0.998	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M PCTP buffer (propionic acid, cacodylate, bis-tris propane) pH = 8.0, 25% (w/v) PEG 1500