3F9T

Crystal structure of L-tyrosine decarboxylase MfnA (EC 4.1.1.25) (NP_247014.1) from METHANOCOCCUS JANNASCHII at 2.11 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	85.276, 104.128, 119.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.975 - 2.110
R-factor	0.16
Rwork	0.158
R-free	0.19200
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.579
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.975	29.975	2.160
High resolution limit [Å]	2.110	9.440	2.110
Rmerge	0.119	0.082	0.772
Total number of observations		3004	20882
Number of reflections	62121
<I/σ(I)>	3.203	3.9	1
Completeness [%]	100.0	96	100
Redundancy	4.6	4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	40.0000% MPD, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K