7R7G

Synechococcus Olefin Synthase FAAL domain A229I/R336A in complex with palmitoyl adenylate and pyrophosphate

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	PIXEL
Collection date	2016-08-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	201.244, 60.921, 95.752
Unit cell angles	90.00, 101.11, 90.00

Refinement procedure

Resolution	29.410 - 2.250
R-factor	0.2304
Rwork	0.230
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnv
RMSD bond length	0.012
RMSD bond angle	1.641
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.410	2.380
High resolution limit [Å]	2.250	2.250
Rmerge	0.144	0.663
Number of reflections	103053	17036
<I/σ(I)>	6.6	1.6
Completeness [%]	99.2	97.4
Redundancy	3.4	3.5
CC(1/2)	0.990	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.17-0.21 M NDSB-256 (Dimethylbenzylammonium Propane Sulfonate), 26-33% PEG 3350, 0.19-0.21 M ammonium acetate, 0.1M sodium acetate pH 5.5).