5LDE
Crystal structure of a vFLIP-IKKgamma stapled peptide dimer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9790 |
Spacegroup name | P 63 |
Unit cell lengths | 90.510, 90.510, 134.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 3.380 |
R-factor | 0.257 |
Rwork | 0.255 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cl3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.500 | 3.560 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.110 | 1.773 |
Rpim | 0.902 | |
Number of reflections | 9482 | 1954 |
<I/σ(I)> | 10.3 | 1.3 |
Completeness [%] | 99.8 | |
Redundancy | 9.4 | 9.6 |
CC(1/2) | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 299 | 1.2M Ammonium Sulphate, 0.05M tri-sodium citrate, 3% isopropanol, 0.1-0.2% vitamin B12 |