9KKA

Structure of the K193M mutant of transaminase PhnW from Vibrio vulnificus in complex with PLP and AEP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	122.672, 72.510, 103.942
Unit cell angles	90.00, 93.49, 90.00

Refinement procedure

Resolution	103.750 - 1.883
R-factor	0.168
Rwork	0.168
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.750	1.889
High resolution limit [Å]	1.883	1.883
Rmeas	0.107	0.998
Rpim	0.041	0.377
Number of reflections	71763	689
<I/σ(I)>	11.1	2.1
Completeness [%]	97.2	95
Redundancy	6.7
CC(1/2)	0.997	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The complex crystals were grown in drops containing 1.5 ul of protein solution (25 mg/ml protein in 10 mM HEPES pH 7.5, 150 mM NaCl, 1 mM DTT, 50 mM AEP and 2.3 mM PLP) and 1.5 ul of reservoir solution (100 mM Bis-Tris pH5.9, 25% (w/v) PEG3350).