9D2Q

Crystal structure of E. coli Threonine dehydratase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	80.018, 93.099, 161.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.680 - 1.870
R-factor	0.1769
Rwork	0.176
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.797
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.680	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.127	3.440
Number of reflections	50171	2340
<I/σ(I)>	10	1.1
Completeness [%]	99.7
Redundancy	13.4
CC(1/2)	0.997	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	HEPES, magnesium chloride, PEG 4000