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 |