7NB7
Structure of Mcl-1 complex with compound 6b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.281, 166.106, 44.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.820 |
| R-factor | 0.2542 |
| Rwork | 0.252 |
| R-free | 0.29120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qz6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.448 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 2.890 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.280 | 1.100 |
| Number of reflections | 16409 | 0 |
| <I/σ(I)> | 4.7 | 0.9 |
| Completeness [%] | 98.3 | 95.8 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 284 | 1.8 M Ammonium citrate |
