9JFI

Structure of wild type catalytic domains of threonine deaminase in complex with PLP

Replaces:  8ZLV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	102.159, 102.159, 116.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 2.900
Rwork	0.224
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.668
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.230
Rmeas	0.243	0.232
Rpim	0.049	0.442
Number of reflections	14225	1409
<I/σ(I)>	15.1	1.71
Completeness [%]	99.8	100
Redundancy	20.3
CC(1/2)	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2 M CaCl2H4O2, 0.1 M HEPES sodium pH 7.5 and 28% v/v PEG 400