9YBF

Rana catesbeiana saxiphilin mutant - T563A: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	2022-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11590
Spacegroup name	P 21 21 21
Unit cell lengths	96.118, 105.711, 251.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 2.450
R-factor	0.233
Rwork	0.231
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.687
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]	48.730	2.480
High resolution limit [Å]	2.450	2.450
Number of reflections	94340	4324
<I/σ(I)>	14.9
Completeness [%]	99.3
Redundancy	13.2
CC(1/2)	1.000	0.526

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