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 |