9YAS

Rana catesbeiana saxiphilin mutant - Y558A:STX-C13-OBz (co-crystal)

This is a non-PDB format compatible entry.

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	2021-05-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11590
Spacegroup name	P 21 21 21
Unit cell lengths	96.198, 109.335, 254.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 2.450
R-factor	0.2511
Rwork	0.249
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.694
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	2.480
High resolution limit [Å]	2.450	2.450
Number of reflections	99513	4889
<I/σ(I)>	18.3
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	1.000	0.636

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-C13-OBz:Saxiphilin molar ratio 1.1:1