9QNU

Crystal structure of Nanofitin C10 - fused to a coiled-coil domain - in complex with a C2 symmetric 31unit 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	2022-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	I 41 2 2
Unit cell lengths	56.914, 56.914, 394.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.380 - 2.530
R-factor	0.2457
Rwork	0.243
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.717
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]	16.380	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.127	1.684
Rmeas	0.130
Rpim	0.026	0.329
Number of reflections	11489	1105
<I/σ(I)>	16.24	2.25
Completeness [%]	98.6	99.64
Redundancy	18.3
CC(1/2)	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277.15	30% PEG 550 MME, 30 mM Sodium cacodylate, 30 mM MnCl2