8WES

Carbonic Anhydrase II T200V variant 5 atm CO2 pressure (pH 7.8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6D
Synchrotron site	PAL/PLS
Beamline	6D
Temperature [K]	100
Detector technology	CCD
Collection date	2023-03-22
Detector	RAYONIX MX225-HS
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.005, 41.477, 72.303
Unit cell angles	90.00, 104.36, 90.00

Refinement procedure

Resolution	30.000 - 1.450
R-factor	0.12204
Rwork	0.120
R-free	0.15782
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.032
RMSD bond angle	2.605
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0135)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.079	0.475
Rmeas	0.085	0.537
Rpim	0.031	0.246
Number of reflections	41806	2031
<I/σ(I)>	26	2.6
Completeness [%]	97.2	94.6
Redundancy	7.1	4.3
CC(1/2)	1.000	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.3M sodium citrate, 50mM Tris-HCl