5YSR

Ethanolamine ammonia-lyase, AdoCbl/2-amino-1-propanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-25
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 63
Unit cell lengths	242.500, 242.500, 77.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.000 - 2.050
R-factor	0.2451
Rwork	0.223
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3abr
RMSD bond length	0.006
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.113	0.688
Rmeas	0.121	0.764
Number of reflections	161685	11915
<I/σ(I)>	15.8	2.47
Completeness [%]	99.7	100
Redundancy	7.3	5.4
CC(1/2)	0.997	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	10% (w/v) PEG 6000, 0.1M ammonium chloride, 0.05M Tris pH 8.0