9L2Y

Zn-Carbonic Anhydrase II complexed with 3NPA at 90 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6D
Synchrotron site	PAL/PLS
Beamline	6D
Temperature [K]	90
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	41.847, 41.117, 72.095
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.14684
Rwork	0.145
R-free	0.17774
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.667
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	0.065	0.310
Rmeas	0.076	0.375
Rpim	0.039	0.208
Number of reflections	73861	3494
<I/σ(I)>	16.8	3.7
Completeness [%]	99.4	95.1
Redundancy	3.6	2.9
CC(1/2)	0.994	0.853

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