9QM6

Crystal structure of highly stable methionine gamma-lyase from Thermobrachium celere in complex with PLP and norleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 61 2 2
Unit cell lengths	86.426, 86.426, 862.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.840 - 2.607
R-factor	0.2507
Rwork	0.250
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS (June 30, 2023)
Data scaling software	STARANISO (2.4.9)
Phasing software	PHASER (2.7)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.740	2.900
High resolution limit [Å]	2.610	2.610
Rmerge	0.231	2.982
Rmeas	0.235	3.023
Rpim	0.038	0.496
Number of reflections	39975	1999
<I/σ(I)>	14.8	1.6
Completeness [%]	94.7	74.4
Redundancy	37.9	36.4
CC(1/2)	0.998	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Well solution: 26% PEG 400 and 0.1M MgCl2 in 1M MES pH 6.5 Cryoprotection: 30% PEG 400 Protein: 13.5 mg/ml in 50 mM HEPES pH 7.5, 100 mM NaCl, 1 mM PLP with 5 mM norleucin