8PUM

Tha1 L-threonine aldolase (mouse), monoclinic form (C2)

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)	0.8731
Spacegroup name	C 1 2 1
Unit cell lengths	83.975, 101.639, 95.958
Unit cell angles	90.00, 116.14, 90.00

Refinement procedure

Resolution	43.070 - 2.600
R-factor	0.2348
Rwork	0.234
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.560
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]	43.070	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.104
Rmeas	0.115
Number of reflections	21160	2662
<I/σ(I)>	8.9	1.4
Completeness [%]	94.8	98
Redundancy	5.2
CC(1/2)	0.996	0.786

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