8V68

Nanorana parkeri saxiphilin:dcSTX (co-crystal)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11614
Spacegroup name	H 3
Unit cell lengths	229.473, 229.473, 67.605
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.370 - 1.900
R-factor	0.1973
Rwork	0.197
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
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]	43.370	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.104
Number of reflections	104618	10454
<I/σ(I)>	12.65	1.03
Completeness [%]	99.6	95.89
Redundancy	15.1
CC(1/2)	0.999	0.490

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, dcSTX:NpSxph molar ratio 1.2:1