5LAV
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
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 | 2013-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 56.651, 56.651, 104.085 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.060 - 1.730 |
| R-factor | 0.2445 |
| Rwork | 0.241 |
| R-free | 0.27330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.245 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.060 | 1.980 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.043 | 0.428 |
| Number of reflections | 10925 | |
| <I/σ(I)> | 40.83 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 22.9 | 23.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | RESERVOIR SOLUTION : NULL |
