9JWU

T200H Carbonic Anhydrase II pH 7.8 0 atm CO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	42.005, 41.242, 72.482
Unit cell angles	90.00, 104.52, 90.00

Refinement procedure

Resolution	28.955 - 1.229
Rwork	0.149
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.956
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.250
High resolution limit [Å]	1.229	1.229
Rmerge	0.073	0.420
Rmeas	0.079	0.473
Rpim	0.030	0.215
Number of reflections	69635	3217
<I/σ(I)>	23.39	2.538
Completeness [%]	99.4	92.2
Redundancy	6.3	4.5
CC(1/2)	0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293.15	1.3M of Sodium Citrate, 50mM Tris-HCl pH 7.8