6VBX
Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-31 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 54.607, 54.607, 97.838 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.000 - 1.950 |
| R-factor | 0.2518 |
| Rwork | 0.250 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nl9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.807 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.001 | 2.025 |
| High resolution limit [Å] | 1.950 | 1.955 |
| Rmerge | 0.073 | 0.276 |
| Number of reflections | 12721 | 1235 |
| <I/σ(I)> | 22 | 2.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.9 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5M Potassium Thiocyanate, 0.1M Sodium Acetate:HCL pH4.6 |
