9QOG

Crystal structure of Nanofitin C10 in complex with a a double-helical aromatic oligoamide foldamer

This is a non-PDB format compatible entry.

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	2023-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8731
Spacegroup name	P 4 21 2
Unit cell lengths	85.902, 85.902, 56.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.270 - 1.850
R-factor	0.191
Rwork	0.187
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.744
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.270	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.193	1.614
Rmeas	0.197
Rpim	0.038	0.313
Number of reflections	18595	1816
<I/σ(I)>	11.55	2.18
Completeness [%]	99.7	99.94
Redundancy	13.6
CC(1/2)	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	40% PEG 400, 100 mM Tris, 200 mM Li2SO4