5YDM

The crystal structure of the Acyl Transferase domain of SpnD complex with benzylmalonyl

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	2016-03-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 43 2 2
Unit cell lengths	108.927, 108.927, 144.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.714 - 2.500
R-factor	0.1997
Rwork	0.199
R-free	0.22090
RMSD bond length	0.009
RMSD bond angle	1.142
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	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.132	0.709
Number of reflections	30565
<I/σ(I)>	26.2
Completeness [%]	100.0
Redundancy	25.7

Crystallization Conditions

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