5LAZ
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 55.839, 55.839, 105.739 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.360 - 1.660 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.549 |
| 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] | 48.360 | 1.910 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 12144 | |
| <I/σ(I)> | 13.1 | 5.39 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.4 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | RESERVOIR SOLUTION : NULL |
