6DYT

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

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	2018-02-06
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	59.640, 133.270, 145.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.893 - 2.050
R-factor	0.1877
Rwork	0.186
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vlf
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.893	37.893	2.123
High resolution limit [Å]	2.050	9.620	2.050
Rmerge	0.096	0.037	3.551
Rmeas	0.107	0.042	3.861
Number of reflections	73005	786	4621
<I/σ(I)>	7.52	22.06	0.42
Completeness [%]	98.8	93.1	99.6
Redundancy	5.016	4.593	5.23
CC(1/2)	0.997	0.998	0.186

Crystallization Conditions

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