8VJP
Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-12-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.039, 62.811, 81.224 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.410 - 1.130 |
R-factor | 0.1924 |
Rwork | 0.191 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.299 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.410 | 1.170 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 55764 | 3405 |
<I/σ(I)> | 11.11 | |
Completeness [%] | 91.1 | 49.8 |
Redundancy | 9 | |
CC(1/2) | 0.997 | 0.375 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Imidazole, pH 8.0 and 10% (w/v) PEG 8,000 |