7Y2T

Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 120 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	120
Detector technology	CCD
Collection date	2020-12-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.437, 41.156, 71.812
Unit cell angles	90.00, 104.05, 90.00

Refinement procedure

Resolution	29.110 - 1.200
R-factor	0.12703
Rwork	0.126
R-free	0.15333
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lv5
RMSD bond length	0.037
RMSD bond angle	2.790
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	0.056	0.294
Rmeas	0.065	0.341
Rpim	0.034	0.173
Number of reflections	71902	3430
<I/σ(I)>	21.5	5
Completeness [%]	95.4	91.8
Redundancy	3.8	3.8
CC(1/2)	0.988	0.913

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