13BB

Acetolactate synthase large subunit from Mycobacterium gordonae in complex with ThDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-03-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97905
Spacegroup name	I 41 2 2
Unit cell lengths	156.006, 156.006, 101.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.510 - 1.870
R-factor	0.1765
Rwork	0.175
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.377
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.000	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.086	1.136
Rpim	0.090	0.488
Number of reflections	51691	3782
<I/σ(I)>	14.8	2
Completeness [%]	100.0	99.9
Redundancy	11.2	11.4
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M magnesium chloride, 0.1 MTri HCl pH 8.5, 30 % PEG 400