3ABQ

Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-Cbl and 2-amino-1-propanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-05
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 63
Unit cell lengths	241.870, 241.870, 76.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.23173
Rwork	0.230
R-free	0.26861
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3ABO
RMSD bond length	0.003
RMSD bond angle	0.989
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0087)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.079	0.463
Number of reflections	158931
<I/σ(I)>	18.9	2.55
Completeness [%]	99.5	94.6
Redundancy	5.2	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	6.0-7.0% (w/v) PEG 4000, 24-26 % (v/v) glycerol, 1.0 % (v/v) 2-methyl-2,4-pentanediol (MPD), 0.M imidazole-HCl, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K