5O0Z

Structure of laspartomycin C in complex with geranyl-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.873
Spacegroup name	P 43 3 2
Unit cell lengths	56.933, 56.933, 56.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.260 - 1.280
R-factor	0.14605
Rwork	0.145
R-free	0.16506
Structure solution method	SIRAS
RMSD bond length	0.019
RMSD bond angle	1.862
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.470
High resolution limit [Å]	1.280
Rmerge	0.067
Rpim	0.032
Number of reflections	8650
<I/σ(I)>	15
Completeness [%]	100.0
Redundancy	9.4
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	20 mM CaCl2 and 37.5% v/v MPD