7CWZ

Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa

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	2019-11-23
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 61 2 2
Unit cell lengths	133.314, 133.314, 390.631
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.850 - 2.970
R-factor	0.2452
Rwork	0.243
R-free	0.29350
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	3.080
High resolution limit [Å]	2.970	6.370	2.970
Rmerge	0.173	0.046	1.148
Rmeas	0.179	0.047	1.191
Rpim	0.043	0.012	0.313
Total number of observations	732993
Number of reflections	43434	4705	4206
<I/σ(I)>	5.7
Completeness [%]	99.9	99.7	99.9
Redundancy	16.9	15.8	13.7
CC(1/2)		0.999	0.924

Crystallization Conditions

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