7TDL

M379A mutant tyrosine phenol-lyase complexed with 3-bromo-DL-phenylalanine

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	2021-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	61.250, 82.870, 94.330
Unit cell angles	113.16, 96.54, 102.21

Refinement procedure

Resolution	58.410 - 1.600
R-factor	0.1778
Rwork	0.177
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vlh
RMSD bond length	0.014
RMSD bond angle	1.205
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.410	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	213258	21321
<I/σ(I)>	6.48
Completeness [%]	98.7
Redundancy	7.6
CC(1/2)	0.997	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, pH 7.5, 0.2 mM PLP, 1 mM DTT, 19% PEG 5000MME