9QEV

A native carbonic anhydrase from Caloramator australiacus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	P 21 21 21
Unit cell lengths	57.024, 82.847, 98.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 1.110
R-factor	0.167
Rwork	0.166
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.894
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	1.150
High resolution limit [Å]	1.110	1.110
Rmeas	0.086
Number of reflections	184092	17915
<I/σ(I)>	12.2	0.8
Completeness [%]	99.9
Redundancy	13
CC(1/2)	0.999	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	Buffer HEPES 10mM, 20% PEG 4K, 0.2 M Sodium formate