3C3X

The multiple phenylpropene synthases in both Clarkia breweri and Petunia hybrida represent two distinct lineages

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.168, 85.046, 99.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.900 - 2.150
Rwork	0.255
R-free	0.28700
Starting model (for MR)	2qx7
RMSD bond length	0.007
RMSD bond angle	1.280
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.947	57.950	2.000
High resolution limit [Å]	1.518	6.010	1.900
Rmerge	0.180	0.015	0.015
Total number of observations		13366	10708
Number of reflections	45628
<I/σ(I)>	3.1	5.4	0.5
Completeness [%]	85.9	99.9	76.8
Redundancy	4	7.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M sodium succinate, 21% PEG 3350, 0.3 M KCl, 2 mM dithiothreitol, 5 mM NADP+, pH 5.5, vapor diffusion, hanging drop, temperature 277K