8D6Q

Rana catesbeiana saxiphilin mutant - Y558I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033106
Spacegroup name	P 21 21 21
Unit cell lengths	96.394, 107.145, 254.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 2.700
R-factor	0.2361
Rwork	0.234
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0f
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	2.760
High resolution limit [Å]	2.700	2.700
Rmerge	0.159
Number of reflections	73319	4504
<I/σ(I)>	8.8	0.6
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.998	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.08-0.2 M sodium cacodylate, pH 6.5, 5% PEG8000, 27% MPD