6I29
X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution
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 | 2011-05-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00070 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 121.883, 121.883, 121.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.270 - 2.100 |
| R-factor | 0.2444 |
| Rwork | 0.243 |
| R-free | 0.27720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dij |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.049 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.270 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.057 | 0.361 |
| Rmeas | 0.058 | 0.366 |
| Rpim | 0.022 | 0.118 |
| Number of reflections | 9337 | |
| <I/σ(I)> | 45.1 | 11.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 36.5 | 38.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 2.1M (NH4)SO4, 0.1M Citrate pH 3.5 |
