5J7F
Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.758, 174.750, 37.810 |
| Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
| Resolution | 87.380 - 2.000 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hbm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.151 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.380 | 37.740 | 2.110 |
| High resolution limit [Å] | 2.004 | 6.340 | 2.004 |
| Rmerge | 0.021 | 0.952 | |
| Number of reflections | 32584 | ||
| <I/σ(I)> | 10.8 | 27 | 0.8 |
| Completeness [%] | 99.7 | 98.6 | 99.1 |
| Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5 with 0.2 M NaCl and 25% PEG 3350 |
