6DXV

Citrobacter freundii tyrosine phenol-lyase F448A mutant

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	CCD
Collection date	2017-11-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	59.350, 132.180, 145.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.479 - 2.200
R-factor	0.2095
Rwork	0.208
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tpl
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.480	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.122	4.860
Rmeas	0.134	5.334
Rpim	0.055	2.174
Number of reflections	58142	5733
<I/σ(I)>	7.14
Completeness [%]	96.2	75.46
Redundancy	6	6
CC(1/2)	0.997	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05 M triethanolamine-HCl, pH 8, 1 mM EDTA, 5 mM 2-mercaptoethanol, 0.5 mM pyridoxal-5'-phosphate