7CIG

Crystal structure of L-methionine decarboxylase Q64A mutant from Streptomyces sp.590 in complexed with L- methionine methyl ester (geminal diamine form).

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	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	C 1 2 1
Unit cell lengths	125.037, 147.378, 53.828
Unit cell angles	90.00, 100.01, 90.00

Refinement procedure

Resolution	19.870 - 1.450
R-factor	0.17629
Rwork	0.175
R-free	0.19425
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cif
RMSD bond length	0.010
RMSD bond angle	1.469
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	1.540
High resolution limit [Å]	1.450	1.450
Rmerge	0.047	0.573
Rpim	0.059	0.729
Number of reflections	166225	53143
<I/σ(I)>	12.8	1.6
Completeness [%]	98.5	97.8
Redundancy	2.6	2.4
CC(1/2)	0.999	0.707

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