8WER

Carbonic Anhydrase II T200V variant 0 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	42.107, 41.292, 72.312
Unit cell angles	90.00, 104.24, 90.00

Refinement procedure

Resolution	30.000 - 1.420
R-factor	0.11761
Rwork	0.116
R-free	0.15539
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.442
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]	50.000	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.064	0.597
Rmeas	0.069	0.657
Rpim	0.025	0.268
Number of reflections	44044	2102
<I/σ(I)>	30.9	2.3
Completeness [%]	96.3	92.2
Redundancy	7.5	5.6
CC(1/2)	0.997	0.790

Crystallization Conditions

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