8D6M

Nanorana parkeri saxiphilin:STX (co-crystal)

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	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	H 3
Unit cell lengths	228.848, 228.848, 67.224
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.550 - 2.000
R-factor	0.1899
Rwork	0.188
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d6g
RMSD bond length	0.011
RMSD bond angle	1.023
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.550	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.055
Number of reflections	88641	8856
<I/σ(I)>	14.11	1.11
Completeness [%]	99.9
Redundancy	5.2
CC(1/2)	0.998	0.637

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, STX:NpSxph molar ratio 1.2:1