9JWE

Native 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	2024-03-27
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	42.133, 41.234, 72.384
Unit cell angles	90.00, 104.41, 90.00

Refinement procedure

Resolution	29.005 - 1.287
Rwork	0.138
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.747
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.310
High resolution limit [Å]	1.287	1.287
Rmerge	0.066	0.697
Rmeas	0.072	0.790
Rpim	0.027	0.359
Number of reflections	61110	2635
<I/σ(I)>	27.6	1.5
Completeness [%]	95.4	88.2
Redundancy	3.4	4.3
CC(1/2)	1.000	0.637

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