9KIQ

Co- Carbonic Anhydrase II pH 11.0 15 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	CCD
Collection date	2020-11-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.275, 41.415, 72.228
Unit cell angles	90.00, 104.12, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.11365
Rwork	0.113
R-free	0.13495
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.380
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	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.060	0.280
Rmeas	0.064	0.301
Rpim	0.024	0.109
Number of reflections	73852	3574
<I/σ(I)>	32.6	7.2
Completeness [%]	97.2	94.1
Redundancy	7.5	7.5
CC(1/2)	0.991	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	293	1.3 M sodium citrate, 50 mM Tris-HCl