1LW4

X-ray structure of L-Threonine Aldolase (low-specificity) in complex with L-allo-threonine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	200
Detector technology	CCD
Collection date	2001-07-13
Detector	MARRESEARCH
Wavelength(s)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	95.900, 100.500, 150.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.1844
Rwork	0.183
R-free	0.20600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB ID 1JG8
RMSD bond length	0.006
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.980
High resolution limit [Å]	1.900	1.900
Rmerge	0.067 *	0.184 *
Total number of observations	1191136 *
Number of reflections	220635
Completeness [%]	97.9	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 400, calcium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	30 (%(v/v))
2	1	reservoir		200 (mM)
3	1	reservoir	HEPES	0.1 (M)	pH7.5
4	1	reservoir	TCEP	0.5 (mM)