5VKC
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 32 |
| Unit cell lengths | 63.920, 63.920, 91.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.810 - 2.310 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 500.000 | 500.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.960 | 2.300 |
| Rmerge | 0.118 | 0.080 | 0.462 |
| Total number of observations | 89320 | ||
| Number of reflections | 18293 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 99.5 | 99.6 | 97.1 |
| Redundancy | 4.9 | 5.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.8 | 277 | 7%(w/v) PEG 8000, 0.1M Tris-HCl, pH 8.8, 0.2M zinc acetate |
