5LAY
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
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 | 2013-06-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 71.450, 71.450, 520.977 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.450 - 2.710 |
| R-factor | 0.2521 |
| Rwork | 0.251 |
| R-free | 0.29170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.132 |
| 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] | 87.450 | 2.960 |
| High resolution limit [Å] | 2.700 | 2.710 |
| Number of reflections | 22692 | |
| <I/σ(I)> | 11.89 | |
| Completeness [%] | 99.0 | 99.6 |
| Redundancy | 6.2 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | NULL |
