7XRM

Ethanolamine ammonia-lyase complexed with AdoMeCbl

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	CCD
Collection date	2015-02-10
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 63
Unit cell lengths	242.885, 242.885, 76.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.420 - 2.130
R-factor	0.1962
Rwork	0.194
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3abr
RMSD bond length	0.003
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.123	1.173
Rmeas	0.132	1.258
Number of reflections	143007	10603
<I/σ(I)>	14.95
Completeness [%]	99.2	99.8
Redundancy	7.71	7.64
CC(1/2)	0.998	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	10% (w/v) PEG 6000, 0.1 M ammonium chloride, and 0.05 M HEPES pH 7.0