6Y4Q
Structure of a stapled peptide bound to MDM2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 63 |
| Detector technology | PIXEL |
| Collection date | 2018-12-02 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.240, 34.840, 48.410 |
| Unit cell angles | 93.38, 107.38, 117.45 |
Refinement procedure
| Resolution | 30.070 - 1.630 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5afg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.930 | 44.930 | 1.720 |
| High resolution limit [Å] | 1.630 | 5.160 | 1.630 |
| Rmerge | 0.162 | 0.148 | 0.462 |
| Rmeas | 0.184 | 0.165 | 0.654 |
| Rpim | 0.087 | 0.072 | 0.462 |
| Total number of observations | 65928 | 3682 | 5148 |
| Number of reflections | 21777 | 723 | 2965 |
| <I/σ(I)> | 23.3 | 60.1 | 4.4 |
| Completeness [%] | 94.9 | 99.9 | 88.6 |
| Redundancy | 3 | 5.1 | 1.7 |
| CC(1/2) | 0.987 | 0.983 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 10% w/v PEG 8000 (precipitant), 0.1 M Tris-HCl pH 7.0 (buffer), 0.2 M Magnesium chloride hexahydrate (salt) |
