8PUS

Tha1 L-threonine aldolase (mouse), orthorhombic form (F222)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	F 2 2 2
Unit cell lengths	83.694, 100.524, 171.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.710 - 2.260
R-factor	0.2113
Rwork	0.210
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.596
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]	25.710	2.330
High resolution limit [Å]	2.260	2.260
Rmerge	0.084
Rmeas	0.088
Rpim	0.027
Number of reflections	17051	1561
<I/σ(I)>	16.6	1.5
Completeness [%]	99.7	99.9
Redundancy	9.9	9.9
CC(1/2)	0.998	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2 M sodium nitrate, 0.1 M Bis-Tris propane pH 8.5, 20% w/v PEG 3350