8Q2M

18mer DNA mimic Foldamer with an Aliphatic linker in complex with Sac7d V26A/M29A protein

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	2023-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 64 2 2
Unit cell lengths	70.920, 70.920, 119.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.710 - 3.210
R-factor	0.326
Rwork	0.325
R-free	0.33450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	4.123
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.710	3.320
High resolution limit [Å]	3.210	3.210
Number of reflections	3226	310
<I/σ(I)>	23.56	3.51
Completeness [%]	99.5	100
Redundancy	37.1	39.9
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	9 % PEG 400, 0.1 M MES pH 6.0