2O7D

Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with caffeate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97945
Spacegroup name	P 1 21 1
Unit cell lengths	87.614, 154.895, 164.162
Unit cell angles	90.00, 94.06, 90.00

Refinement procedure

Resolution	500.000 - 1.900
Rwork	0.175
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o6y (tyrosine ammonia-lyase from Rhodobacter sphaeroides)
RMSD bond length	0.005
RMSD bond angle	1.178
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.112	0.546
Number of reflections	338640
<I/σ(I)>	8.5	2.4
Completeness [%]	98.9	97.5
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M MOPSO (pH 7.0), 7% (w/v) polyethylene glycol 8000, 0.3 M ammonium acetate, 2 mM dithiothreitol, 35 mM cyclohexylbutanoyl-N-hydroxyethylglucamide, VAPOR DIFFUSION, HANGING DROP, temperature 277K