4RJY

Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5417
Spacegroup name	P 1 21 1
Unit cell lengths	77.160, 104.880, 84.910
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.2787
Rwork	0.212
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.507
Data reduction software	d*TREK (9.2SSI)
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.800	32.800	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.093	0.039	0.268
Total number of observations		26051	22938
Number of reflections	77165
<I/σ(I)>	8.4	21.1	3.8
Completeness [%]	98.0	97.9	95.4
Redundancy	2.91	3.04	2.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Freshly dialyzed eTA (22 mg/mL in 20 mM potassium phosphate, pH 7.0) was incubated with L-serine (6.25 mM), precipitant solution contains 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 20% v/v 2-propoanol, 20% v/v PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K