4MDQ
Structure of a novel submicromolar MDM2 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Detector technology | PIXEL |
Detector | PSI PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 53.520, 53.520, 122.270 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.350 - 2.119 |
R-factor | 0.1865 |
Rwork | 0.185 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.800 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.350 | |
High resolution limit [Å] | 2.119 | 2.119 |
Number of reflections | 10977 | |
Completeness [%] | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2 M ammonium nitrate, 20% w/v PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |