8U78

Structure of a N-Me-D-Gln4,Lys10-teixobactin analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99997
Spacegroup name	P 43
Unit cell lengths	24.880, 24.880, 106.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 1.500
R-factor	0.1574
Rwork	0.154
R-free	0.18310
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	2.013
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX (HYSS)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.880	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.018	0.193
Rmeas	0.025	0.274
Rpim	0.018	0.193
Number of reflections	10322	1055
<I/σ(I)>	24.09	4.24
Completeness [%]	99.9	100
Redundancy	2	2
CC(1/2)	1.000	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG3350, MgCl2