7Y2H

Zn-Carbonic Anhydrase II complexed with 3NPA after UV 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	2019-12-02
Detector	RAYONIX MX225-HS
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.321, 41.434, 72.283
Unit cell angles	90.00, 104.38, 90.00

Refinement procedure

Resolution	29.140 - 1.200
R-factor	0.12162
Rwork	0.120
R-free	0.14926
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6luw
RMSD bond length	0.029
RMSD bond angle	2.387
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	0.049	0.339
Rmeas	0.058	0.430
Rpim	0.030	0.261
Number of reflections	71723	2640
<I/σ(I)>	25.7	2.2
Completeness [%]	94.3	69.3
Redundancy	3.7	2.1
CC(1/2)	0.999	0.831

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