5YDL

The crystal structure of the Acyl Transferase domain of SpnD complex with 2-(pent-4-yn-1-yl)malonyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 43 2 2
Unit cell lengths	109.020, 109.020, 144.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.755 - 2.402
R-factor	0.1978
Rwork	0.197
R-free	0.22210
RMSD bond length	0.008
RMSD bond angle	1.045
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.105	0.719
Number of reflections	34567
<I/σ(I)>	42
Completeness [%]	100.0
Redundancy	25.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.5M Li2SO4, 0.1M Bis-Tris propane pH 6.5