9YBE

Rana catesbeiana saxiphilin mutant - F561A:STX (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	2022-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11585
Spacegroup name	P 21 21 21
Unit cell lengths	96.062, 105.111, 253.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 2.350
R-factor	0.2414
Rwork	0.240
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.558
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]	48.540	2.380
High resolution limit [Å]	2.350	2.350
Number of reflections	107521	5258
<I/σ(I)>	17.5
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.08-0.2 M sodium cacodylate, pH 6.5, 5% PEG8000, 33% MPD, STX:Saxiphilin molar ratio 1.1:1