9RMQ

Crystal structure of gamma Carbonic Anhydrase from Pseudomonas aeruginosa (PA3753)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	63.240, 63.240, 116.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.940 - 1.450
R-factor	0.11761
Rwork	0.116
R-free	0.15060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.757
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.940	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.090	0.700
Rmeas	0.095	0.741
Rpim	0.031	0.243
Number of reflections	30826	1566
<I/σ(I)>	25.6
Completeness [%]	99.6
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.02 M Magnesium chloride hexahydrate, 22% w/v Poly(acrylic acid sodium salt) 5,100, 0.1 M HEPES pH 7.5