5VK0
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.838, 157.470, 196.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.700 - 1.800 |
R-factor | 0.20046 |
Rwork | 0.198 |
R-free | 0.24656 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eqs |
RMSD bond length | 0.020 |
RMSD bond angle | 2.495 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.076 | 0.299 |
Number of reflections | 123372 | |
<I/σ(I)> | 23.2 | 3 |
Completeness [%] | 95.5 | 97.9 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 1340 mM ammonium sulfate, 6.7% glycerol, 50 mM magnesium sulfate, 100 mM imidazole pH 6.5 |