2A5H

2.1 Angstrom X-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale SB4, with Michaelis analog (L-alpha-lysine external aldimine form of pyridoxal-5'-phosphate).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9742
Spacegroup name	C 1 2 1
Unit cell lengths	118.890, 92.926, 177.735
Unit cell angles	90.00, 96.74, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.18732
Rwork	0.184
R-free	0.22485
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	3.086
Data reduction software	MX
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.103	0.265
Number of reflections	83957
<I/σ(I)>	2	2.97
Completeness [%]	81.5	62.3
Redundancy	3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	300	sodium N-2-hydroxy-ethylpiperazine-N'--3-propage sulfonic acid (EPPS, or HEPPS), sodium malonaate, L-alpha-lysine, dithiothreitol, polyethylene glycol 200, polyethylene glycol 8000, s-adenosylmethionine, iron-II-sulfate, , pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K
2	VAPOR DIFFUSION, HANGING DROP	8	300	sodium N-2-hydroxy-ethylpiperazine-N'--3-propage sulfonic acid (EPPS, or HEPPS), sodium malonaate, L-alpha-lysine, dithiothreitol, polyethylene glycol 200, polyethylene glycol 8000, s-adenosylmethionine, iron-II-sulfate, , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K