7KB0

O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	CCD
Collection date	2016-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 64 2 2
Unit cell lengths	135.308, 135.308, 110.878
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.880 - 1.850
R-factor	0.2115
Rwork	0.210
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	T. maritima CBL
RMSD bond length	0.014
RMSD bond angle	1.244
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.880	1.960
High resolution limit [Å]	1.850	1.850
Rmeas	0.246	1.869
Number of reflections	51081	8154
<I/σ(I)>	7.13
Completeness [%]	99.4	99.6
Redundancy	7.62	7.75
CC(1/2)	0.994	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.4	289	0.1 M BIS-Tris, 0.2 M magnesium chloride, 18% PEG 3350