8D6U

Rana catesbeiana saxiphilin:F-STX (soaked)

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	2021-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 21 21 21
Unit cell lengths	96.437, 109.370, 256.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.970 - 2.650
R-factor	0.2372
Rwork	0.236
R-free	0.26620
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]	47.970	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.112
Number of reflections	79524	4469
<I/σ(I)>	11.1	0.8
Completeness [%]	99.9	99.8
Redundancy	10.4	11
CC(1/2)	0.999	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.11-0.2 M sodium cacodylate, pH 6.5, 5% PEG8000, 33% MPD, 1 mM (final concentration) F-STX was added during soaking