9NT3

Crystal structure of apo ecLacI transcription factor ancestor 1

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	2024-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	62.859, 85.587, 211.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 2.450
R-factor	0.2267
Rwork	0.224
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.743
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]	42.790	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.349	2.515
Rmeas	0.363	2.611
Rpim	0.099	0.697
Total number of observations	575182	62087
Number of reflections	42997	4451
<I/σ(I)>	6.8	1.3
Completeness [%]	100.0
Redundancy	13.4	13.9
CC(1/2)	0.994	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	15 % w/v PEG 4000, 0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5