7Y2X

Ni-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 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	200
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	42.490, 41.324, 71.965
Unit cell angles	90.00, 104.04, 90.00

Refinement procedure

Resolution	29.180 - 1.500
R-factor	0.11316
Rwork	0.111
R-free	0.15796
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lv5
RMSD bond length	0.029
RMSD bond angle	2.468
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	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	0.438
Rmeas	0.071	0.509
Rpim	0.037	0.259
Number of reflections	37959	1854
<I/σ(I)>	20.6	4.1
Completeness [%]	97.0	94.6
Redundancy	3.8	3.8
CC(1/2)	0.995	0.829

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