5YSN

Ethanolamine ammonia-lyase, AdoCbl/substrate-free

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	242.723, 242.723, 76.573
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.000 - 2.001
R-factor	0.1649
Rwork	0.163
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3abr
RMSD bond length	0.009
RMSD bond angle	1.240
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.102	0.574
Rmeas	0.110	0.643
Number of reflections	172666	8189
<I/σ(I)>	21.6	2.79
Completeness [%]	99.7	95.1
Redundancy	7.3	4.8
CC(1/2)	0.997	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	12.5% (w/v) PEG 1500, 0.05M sodium malonate, imidazole, boric acid (MIB) buffer pH 9.0