9IVH

Structure of TF9 mutant of aminotransferase from Mycolicibacterium neoaurum in complex with LLP and G4O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9787
Spacegroup name	P 1
Unit cell lengths	66.615, 78.586, 91.541
Unit cell angles	96.96, 108.42, 113.07

Refinement procedure

Resolution	42.550 - 2.020
R-factor	0.2021
Rwork	0.200
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.550	2.130
High resolution limit [Å]	2.020	2.020
Rmerge	0.097	0.507
Rpim		0.348
Number of reflections	94474	14021
<I/σ(I)>	2.2
Completeness [%]	92.3
Redundancy	2.6
CC(1/2)	0.994	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Sodium Cacodylate pH 6.5,0.2 M MgCl2,10 %PEG 3000