3ANY

Crystal structure of ethanolamine ammonia-lyase from escherichia coli complexed with CN-CBL and (R)-2-amino-1-propanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-05
Detector	BRUCKER DIP-6040
Spacegroup name	P 63
Unit cell lengths	244.073, 244.073, 76.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.840 - 2.100
R-factor	0.248
Rwork	0.246
R-free	0.27600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3abr
RMSD bond length	0.012
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.443
Number of reflections	141897
<I/σ(I)>	13.2	2.99
Completeness [%]	92.9	91.5
Redundancy	3.3	3.2

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), 0.1M IMIDAZOLE-HCL , pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K