7CIJ

Crystal structure of L-methionine decarboxylase from Streptomyces sp.590 in complexed with 3-methlythiopropylamine (external aldimine form).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	125.176, 147.495, 54.065
Unit cell angles	90.00, 99.79, 90.00

Refinement procedure

Resolution	19.920 - 1.610
R-factor	0.1771
Rwork	0.176
R-free	0.20287
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cif
RMSD bond length	0.011
RMSD bond angle	1.526
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.610	1.610
Rmerge	0.090	0.733
Rpim	0.113	0.914
Number of reflections	122379	38998
<I/σ(I)>	6.9	1.3
Completeness [%]	98.2	97.4
Redundancy	2.6	2.6
CC(1/2)	0.993	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M MMT buffer pH 6.0, 23.5 % (w/v) PEG1500