9KK9

Structure of the 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	158.248, 94.945, 91.184
Unit cell angles	90.00, 90.51, 90.00

Refinement procedure

Resolution	60.870 - 2.150
R-factor	0.168
Rwork	0.167
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
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]	60.870	2.157
High resolution limit [Å]	2.150	2.150
Rmeas	0.113	0.757
Rpim	0.045	0.287
Number of reflections	72999	700
<I/σ(I)>	9.7	2
Completeness [%]	99.4	97.4
Redundancy	6.5
CC(1/2)	0.994	0.893

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)