7NA4
HDM2 in complex with compound 63
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 | 2013-11-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 55.736, 55.736, 101.296 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.280 - 1.840 |
| R-factor | 0.1938 |
| Rwork | 0.191 |
| R-free | 0.21730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.743 |
| 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] | 48.280 | 2.090 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.063 | 0.599 |
| Rmeas | 0.065 | 0.026 |
| Number of reflections | 8607 | 46 |
| <I/σ(I)> | 31.77 | 5.5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 19.7 | 18.6 |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | undisclosed |
