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) |