6ECG

Citrobacter freundii tyrosine phenol-lyase F448A mutant complexed with L-methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	59.610, 132.850, 144.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.950 - 2.270
R-factor	0.185
Rwork	0.183
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vlh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.950	2.351
High resolution limit [Å]	2.270	2.270
Rmerge	0.119
Rmeas	0.131	3.751
Rpim	0.053	1.495
Number of reflections	53790	5280
<I/σ(I)>	7.75
Completeness [%]	99.9	99.91
Redundancy	6	6.2
CC(1/2)	0.997	0.239

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.05 M triethanolamine-HCl, pH 8.0, 0.2 M KCl, 1 mM DTT, 0.5 mM pyridoxal-5'-phosphate