9IZ5

Multifunctional PLP-dependent enzyme TM1270

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	2020-10-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	52.418, 120.578, 137.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.120 - 1.700
R-factor	0.15142
Rwork	0.150
R-free	0.17596
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.083	0.900
Rpim	0.034	0.383
Number of reflections	96442	4701
<I/σ(I)>	15.9	2.1
Completeness [%]	100.0	100
Redundancy	6.7	6.4
CC(1/2)	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277.2	7.75% PEG 6000, 0.9M LiCl, 0.1M sodium citrate (pH 5.0)