8DK9

Sliding-clamp-DinX peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	71.072, 73.944, 81.343
Unit cell angles	82.77, 77.57, 87.75

Refinement procedure

Resolution	47.350 - 2.500
R-factor	0.2126
Rwork	0.211
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dj6
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.068	0.329
Rpim	0.068	0.329
Number of reflections	52753	2313
<I/σ(I)>	6.66
Completeness [%]	94.5
Redundancy	1.7
CC(1/2)	0.996	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Hepes ph 7.5, 0.1M lithium sulphate, 0.1 M NaCl, 20%PEG 3350 and 10% 1,6-Hexanediol