9Y91

Nanorana parkeri saxiphilin:STX-C13-NBz (co-crystal)

This is a non-PDB format compatible entry.

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	2022-11-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	H 3
Unit cell lengths	228.982, 228.982, 67.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.270 - 1.950
R-factor	0.1955
Rwork	0.194
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.270	1.970
High resolution limit [Å]	1.950	1.950
Number of reflections	96135	3245
<I/σ(I)>	12.65
Completeness [%]	99.9
Redundancy	10.7
CC(1/2)	0.999	0.286

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-C13-NBz:NpSxph molar ratio 1.2:1