9C5S

Disulfide-linked, antiparallel p53-derived peptide dimer (CV1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92011
Spacegroup name	P 31 2 1
Unit cell lengths	45.243, 45.243, 62.699
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.230 - 1.010
R-factor	0.1909
Rwork	0.190
R-free	0.20150
Structure solution method	AB INITIO PHASING
RMSD bond length	0.004
RMSD bond angle	0.824
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.230	1.068
High resolution limit [Å]	1.010	1.010
Rmerge	0.045	1.553
Number of reflections	35044	1752
<I/σ(I)>	15
Completeness [%]	88.6	28.9
Redundancy	10.6	7.6
CC(1/2)	0.999	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 20% v/v glycerol, 10% w/v PEG4000, 100 mM imidazole/MES monohydrate buffer, pH 6.5