6LV3

Co- Carbonic Anhydrase II pH 11.0 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	CCD
Collection date	2019-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	42.330, 41.259, 72.083
Unit cell angles	90.00, 104.13, 90.00

Refinement procedure

Resolution	30.000 - 1.200
Rwork	0.123
R-free	0.14890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yuk
RMSD bond length	0.031
RMSD bond angle	2.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0124)
Refinement software	REFMAC (5.8.0124 2015/06/02)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.085	0.464
Rmeas	0.091	0.497
Rpim	0.033	0.179
Number of reflections	71904	3443
<I/σ(I)>	23	4.3
Completeness [%]	95.0	91.7
Redundancy	7.6	7.7
CC(1/2)	0.995	0.909

Crystallization Conditions

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