6GGN
In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 56.080, 56.080, 106.698 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.540 - 2.000 |
| R-factor | 0.2218 |
| Rwork | 0.221 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ln2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.989 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.540 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.625 |
| Rmeas | 0.093 | 0.644 |
| Rpim | 0.052 | 0.284 |
| Total number of observations | 127042 | |
| Number of reflections | 7181 | |
| <I/σ(I)> | 23 | 5.2 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 17.7 | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.5M (NH4)2SO4, 0.1M NaCitrate |
