9Y92

Nanorana parkeri saxiphilin:STX-C13-OBz (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	2021-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	H 3
Unit cell lengths	228.643, 228.643, 67.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.210 - 1.900
R-factor	0.199
Rwork	0.198
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.789
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.210	1.920
High resolution limit [Å]	1.900	1.900
Number of reflections	103144	3488
<I/σ(I)>	16.01
Completeness [%]	99.9
Redundancy	10.4
CC(1/2)	0.999	0.562

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-OBz:NpSxph molar ratio 1.2:1