7K34

Crystal structure of L-threonine transaldolase from Pseudomonas fluorescens in internal aldimine state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.03321
Spacegroup name	P 41
Unit cell lengths	118.613, 118.613, 129.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.005 - 1.660
Rwork	0.213
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ot8
RMSD bond length	0.004
RMSD bond angle	1.269
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.600	1.700
High resolution limit [Å]	1.660	1.660
Rmeas	0.216
Rpim	0.083
Number of reflections	211275	15546
<I/σ(I)>	6.9
Completeness [%]	100.0	100
Redundancy	13.4	13.1
CC(1/2)	0.996	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	N-His-ObiH at 30 mg/ml was dissolved in 10 mM Tris pH 8.5. Two microliter of protein solution was mixed with two microliter of reservoir solution, 0.1 M Bis-Tris pH 6.75 - 7.0, 1.8 - 2.0 M ammonium sulfate and equilibrated against the reservoir at 21 C (294K)