9ZGL

Ancestrally reconstructed acetolactate synthase - Ancestor N259 with bound ThDP and magnesium.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	162.942, 163.079, 86.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 2.990
R-factor	0.1979
Rwork	0.195
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.930	3.101
High resolution limit [Å]	2.990	2.994
Rmerge	0.199	1.144
Rmeas	0.224	1.288
Rpim	0.100	0.573
Number of reflections	37854	3710
<I/σ(I)>	8.25
Completeness [%]	81.8	79.98
Redundancy	4.2	4.1
CC(1/2)	0.985	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris.HCl, 30% (w/v) MPEG2000, 1 mM NADH, 10 mM MgCl2, 20% (v/v) glycerol