5WX7

Alkyldiketide-CoA synthase W332G mutant from Evodia rutaecarpa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	163.760, 83.870, 136.140
Unit cell angles	90.00, 124.45, 90.00

Refinement procedure

Resolution	47.248 - 1.904
R-factor	0.1999
Rwork	0.198
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wx3
RMSD bond length	0.008
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.248	47.248	2.020
High resolution limit [Å]	1.900	5.680	1.900
Rmerge	0.068	0.032	0.519
Rmeas	0.081
Total number of observations	403637
Number of reflections	118399
<I/σ(I)>	11.81	32.6	2.36
Completeness [%]	99.3	98.2	98.4
Redundancy	3.409	3.369	3.288
CC(1/2)	0.998	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	0.1 M MES, 0.2 M lithium sulfate, 25%(w/v) PEG3350, 10 mM CoASH