7Y2W

Ni-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 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	180
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	42.511, 41.248, 71.936
Unit cell angles	90.00, 104.07, 90.00

Refinement procedure

Resolution	29.160 - 1.200
R-factor	0.12955
Rwork	0.128
R-free	0.15552
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lv5
RMSD bond length	0.038
RMSD bond angle	2.824
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	0.063	0.578
Rmeas	0.074	0.674
Rpim	0.038	0.345
Number of reflections	72229	3437
<I/σ(I)>	20.1	2.6
Completeness [%]	95.4	91.4
Redundancy	3.8	3.8
CC(1/2)	0.990	0.741

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