9E9J

L-allo-threonine aldolase from Thermotoga maritima, N308E-Y87A-R122G-P121D Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92015
Spacegroup name	P 21 21 21
Unit cell lengths	61.002, 130.364, 164.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 2.150
R-factor	0.2061
Rwork	0.203
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.330	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.173	1.007
Rmeas	0.188	1.085
Rpim	0.072	0.402
Number of reflections	72095	4407
<I/σ(I)>	9.9
Completeness [%]	99.9	99.9
Redundancy	6.7	7.2
CC(1/2)	0.996	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	HEPES buffer (pH 7.2), Calcium Acetate, PEG 400