7R7E

Synechococcus Olefin Synthase FAAL domain in complex with AMP and pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	201.288, 60.920, 95.929
Unit cell angles	90.00, 101.17, 90.00

Refinement procedure

Resolution	29.820 - 1.990
R-factor	0.1975
Rwork	0.196
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnv
RMSD bond length	0.012
RMSD bond angle	1.167
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]	29.820	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.094	0.647
Number of reflections	140435	20450
<I/σ(I)>	9	1.5
Completeness [%]	97.0	86.9
Redundancy	3.1	2.6
CC(1/2)	0.995	0.708

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