7Y2I

Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 200 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6D
Synchrotron site	PAL/PLS
Beamline	6D
Temperature [K]	200
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	42.327, 41.491, 72.293
Unit cell angles	90.00, 104.31, 90.00

Refinement procedure

Resolution	29.170 - 1.400
R-factor	0.11347
Rwork	0.111
R-free	0.15874
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6luw
RMSD bond length	0.027
RMSD bond angle	2.362
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	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.047	0.364
Rmeas	0.055	0.423
Rpim	0.028	0.215
Number of reflections	46813	2307
<I/σ(I)>	28.1	3.3
Completeness [%]	97.2	95.1
Redundancy	3.8	3.8
CC(1/2)	1.000	0.863

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