7CX0

Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-27
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 61 2 2
Unit cell lengths	131.696, 131.696, 390.014
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.890 - 2.660
R-factor	0.2174
Rwork	0.215
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hsi
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.750
High resolution limit [Å]	2.660	5.710	2.660
Rmerge	0.108	0.046	0.849
Rmeas	0.113	0.049	0.883
Rpim	0.033	0.017	0.243
Total number of observations	698119
Number of reflections	58568	6160	5750
<I/σ(I)>	8.8
Completeness [%]	99.6	97.1	100
Redundancy	11.9	8.7	13.1
CC(1/2)		0.998	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	15% PEG 1000, 0.2 M Mgcl2 and 0.1 M sodium citrate tribasic dehydrate (pH 6.5)