7BIR
Inhibitor of MDM2-p53 Interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-14 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 71.459, 71.459, 101.201 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.800 - 2.020 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.000 |
| 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] | 61.890 | 2.110 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.192 | 2.616 |
| Number of reflections | 10626 | 1336 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 2M (NH4)2SO4 5% PEG 400 .1M pH=6.5 Na MES/HCl |
