9L32

Zn-Carbonic Anhydrase II complexed with 3NPA at 180 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6D
Synchrotron site	PAL/PLS
Beamline	6D
Temperature [K]	180
Detector technology	CCD
Collection date	2019-07-19
Detector	RAYONIX MX225-HS
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	41.995, 41.254, 72.189
Unit cell angles	90.00, 104.33, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.14403
Rwork	0.142
R-free	0.17582
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.517
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	0.075	0.283
Rmeas	0.087	0.341
Rpim	0.045	0.188
Number of reflections	74740	3600
<I/σ(I)>	15	3.8
Completeness [%]	99.6	97.6
Redundancy	3.6	3
CC(1/2)	0.993	0.894

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