5FDR
Mcl-1 complexed with small molecule 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 | IMAGE PLATE |
| Collection date | 2014-04-07 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.040, 115.005, 95.327 |
| Unit cell angles | 90.00, 91.17, 90.00 |
Refinement procedure
| Resolution | 28.751 - 2.600 |
| R-factor | 0.2271 |
| Rwork | 0.224 |
| R-free | 0.28340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hw2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.326 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | 0.460 |
| Number of reflections | 22089 | |
| <I/σ(I)> | 5.3 | 1.5 |
| Completeness [%] | 94.9 | 87 |
| Redundancy | 4.1 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 3350, Bis-Tris, magnesium chloride |
