8TFM

PorX with Zn (primitive orthorhombic crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.283
Spacegroup name	P 21 21 21
Unit cell lengths	86.868, 97.058, 132.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.580 - 2.720
R-factor	0.20717
Rwork	0.204
R-free	0.26111
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.329
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.770
High resolution limit [Å]	2.720	7.380	2.720
Rmerge	0.113	0.040	0.829
Rmeas	0.118	0.042	0.870
Rpim	0.033	0.012	0.257
Total number of observations	404150
Number of reflections	31924	1753	1512
<I/σ(I)>	5.4
Completeness [%]	99.8	99.9	97.7
Redundancy	12.7	12.5	10.5
CC(1/2)	0.998	0.999	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4% polyethylene glycol 8000, 25% glycerol and 0.2 mM Zinc chloride