7AYE
Crystal structure of the computationally designed chemically disruptable heterodimer LD6-MDM2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-02 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 73.238, 73.238, 92.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.200 - 2.950 |
R-factor | 0.2006 |
Rwork | 0.197 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5afg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.610 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.200 | 3.130 |
High resolution limit [Å] | 2.950 | 2.950 |
Number of reflections | 5646 | 872 |
<I/σ(I)> | 22.18 | 2.19 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.5 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6.5 |