8D6O

Nanorana parkeri 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	2021-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	H 3
Unit cell lengths	229.186, 229.186, 67.347
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.310 - 2.200
R-factor	0.199
Rwork	0.197
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d6g
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]	43.310	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.071
Number of reflections	66898	6682
<I/σ(I)>	19.64	1.35
Completeness [%]	99.9
Redundancy	10.6
CC(1/2)	0.999	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277.15	20-25% v/v PEG400, 4-5% w/v PGA-LM, 100-200 mM sodium acetate, pH 5.0, 1 mM (final concentration) F-STX was added during soaking