6I3S
Crystal structure of MDM2 in complex with compound 13.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 56.064, 56.064, 105.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.550 - 1.770 |
| R-factor | 0.1933 |
| Rwork | 0.188 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.517 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.550 | 2.050 |
| High resolution limit [Å] | 1.770 | 1.800 |
| Rmerge | 0.096 | 0.440 |
| Number of reflections | 9499 | |
| <I/σ(I)> | 23.92 | |
| Completeness [%] | 98.6 | 97.6 |
| Redundancy | 23.1 | 23.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 2.10 M (NH4)2SO4, 0.10 M Na acetate |
