7BIT
Inhibitor of MDM2-p53 Interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-14 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 71.022, 71.022, 101.194 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.510 - 2.130 |
| R-factor | 0.258 |
| Rwork | 0.255 |
| R-free | 0.30700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.510 | 2.150 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.030 | 0.310 |
| Number of reflections | 7991 | 118 |
| <I/σ(I)> | 20.2 | |
| Completeness [%] | 89.4 | |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 1.5M (NH4)2SO4 15% Glycerol .1M pH=8.5 Tris Cl/NaOH |
