9KIA

Zn- Carbonic Anhydrase II pH 7.8 7.0 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	2020-11-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.105, 41.316, 71.946
Unit cell angles	90.00, 104.03, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.11726
Rwork	0.116
R-free	0.14026
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.031
RMSD bond angle	2.471
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	0.067	0.653
Rmeas	0.077	0.753
Rpim	0.038	0.370
Number of reflections	74709	3695
<I/σ(I)>	21.7	2.2
Completeness [%]	99.1	98.1
Redundancy	4.1	4
CC(1/2)	0.996	0.714

Crystallization Conditions

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