5WX3

Alkyldiketide-CoA synthase from Evodia rutaecarpa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	164.590, 84.120, 138.670
Unit cell angles	90.00, 124.74, 90.00

Refinement procedure

Resolution	39.737 - 1.801
R-factor	0.1937
Rwork	0.192
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wd7
RMSD bond length	0.007
RMSD bond angle	0.899
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.484	47.484	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.051	0.023	0.477
Number of reflections	142923
<I/σ(I)>	17.37	51.03	2.8
Completeness [%]	99.2	98	97.8
Redundancy	3.5
CC(1/2)	0.999	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.1 M Bis-Tris, 0.2 M Ammonium sulfate, 25%(w/v) PEG3350