4LNM

Structure of Escherichia coli Threonine Aldolase in Complex with Serine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	77.200, 101.050, 176.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.140 - 2.100
R-factor	0.227
Rwork	0.227
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lnj
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CaspR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.140	2.280
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	0.285
Number of reflections	30725
<I/σ(I)>	8.4	4.3
Completeness [%]	86.8	90.7
Redundancy	3.2	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	274 uM of enzyme with 2 mM L-serine, 0.2 M calcium chloride hexahydrate, 0.1 M HEPES, 28% PEG 200, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K