6LDS

Structure of a K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with L-Tyr: External aldimine form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9790
Spacegroup name	P 43 21 2
Unit cell lengths	98.420, 98.420, 122.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 1.800
R-factor	0.1687
Rwork	0.167
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ldr
RMSD bond length	0.068
RMSD bond angle	0.972
Data reduction software	iMOSFLM (v7.1)
Data scaling software	Aimless (0.5.17)
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.860	1.810
High resolution limit [Å]	1.770	1.770
Rmerge	0.078	1.179
Rmeas	0.083	1.272
Rpim	0.028	0.465
Number of reflections	58830	3301
<I/σ(I)>	16.1	1.6
Completeness [%]	100.0	100
Redundancy	8.1	6.9
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	0.1M sodium citrate pH 5.4, 0.2M sodium potassium tartarate, 2.0M ammonium sulphate