6YBG
Structure of Mcl-1 in complex with compound 2g
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.749, 79.061, 42.294 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1828 |
| Rwork | 0.180 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qz6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.476 |
| 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] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.360 |
| Number of reflections | 19966 | 572 |
| <I/σ(I)> | 18.6 | 2.3 |
| Completeness [%] | 71.7 | 20.6 |
| Redundancy | 4.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 284 | 0.1 M Hepes buffer pH 7.5, 0.2 M Ammonium Acetate, 30% PegMME550 |
