7Y2C

Zn-Carbonic Anhydrase II complexed with 3NPA after UV 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	2019-12-02
Detector	RAYONIX MX225-HS
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.210, 41.329, 72.132
Unit cell angles	90.00, 104.33, 90.00

Refinement procedure

Resolution	29.070 - 1.200
R-factor	0.12554
Rwork	0.124
R-free	0.15336
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6luw
RMSD bond length	0.029
RMSD bond angle	2.425
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	0.045	0.241
Rmeas	0.052	0.281
Rpim	0.027	0.144
Number of reflections	72518	3503
<I/σ(I)>	28.6	4.6
Completeness [%]	96.1	93.4
Redundancy	3.8	3.7
CC(1/2)	0.997	0.940

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