9IJL

Structure of wild-type aminotransferase from Mycolicibacterium neoaurum in complex with LLP

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	2022-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9787
Spacegroup name	P 1
Unit cell lengths	67.180, 79.278, 92.210
Unit cell angles	97.20, 108.43, 113.01

Refinement procedure

Resolution	41.930 - 1.600
Rwork	0.204
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.616
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.930	1.680
High resolution limit [Å]	1.600	1.600
Rmerge		0.663
Rmeas		0.765
Rpim		0.377
Number of reflections	189635	29236
<I/σ(I)>	14.2
Completeness [%]	89.8
Redundancy	3.9
CC(1/2)	0.998	0.734

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