9NK9

Nano-body peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	95
Detector technology	PIXEL
Collection date	2024-06-01
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5
Spacegroup name	P 31 2 1
Unit cell lengths	46.876, 46.876, 91.184
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.880 - 2.100
R-factor	0.1762
Rwork	0.172
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.204
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.045
Rmeas	0.048	0.112
Rpim	0.016	0.042
Number of reflections	7180	369
<I/σ(I)>	51.6	14.1
Completeness [%]	99.3	98.4
Redundancy	8.9	6.9
CC(1/2)	1.000	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.1M Tris-HCl, pH8.5 2 M (NH4)2SO4