5LAW
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
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 | 2013-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 56.219, 56.219, 105.128 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.680 - 1.640 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.364 |
| 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] | 48.680 | 1.890 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.067 | 0.440 |
| Number of reflections | 12213 | |
| <I/σ(I)> | 10.62 | |
| Completeness [%] | 96.3 | 96.6 |
| Redundancy | 2.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | RESERVOIR SOLUTION : NULL |
