7NA2
HDM2 in complex with compound 56
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 | 2013-03-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.925, 68.341, 42.105 |
| Unit cell angles | 90.00, 113.12, 90.00 |
Refinement procedure
| Resolution | 38.740 - 1.860 |
| R-factor | 0.1934 |
| Rwork | 0.186 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.440 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.740 | 2.110 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.094 | 0.574 |
| Rmeas | 0.108 | 0.028 |
| Number of reflections | 16664 | 5155 |
| <I/σ(I)> | 13.85 | 3.8 |
| Completeness [%] | 98.8 | 98.1 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.998 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | undisclosed |
