9QDO

Crystal structure of the aromatic oligoamide foldamer binder Nanofitin C10 fused to a coiled-coil domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8000
Spacegroup name	P 21 21 21
Unit cell lengths	42.586, 62.959, 89.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.500 - 1.400
R-factor	0.1783
Rwork	0.177
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	CrysalisPro (171.43.130a)
Data scaling software	CrysalisPro (171.43.130a)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.500	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.045	0.438
Rmeas	0.049	0.474
Rpim	0.019	0.181
Number of reflections	47019	4575
<I/σ(I)>	23.09
Completeness [%]	97.8	97.4
Redundancy	6.2	6.7
CC(1/2)	0.998	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	25% PEG 2000, 50 mM HEPES pH 7.5