4ZBF
Mcl-1 complexed with small molecules
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 | 2012-08-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.722, 134.405, 135.332 |
| Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
| Resolution | 29.998 - 2.200 |
| R-factor | 0.1836 |
| Rwork | 0.183 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1951) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.049 | 0.350 |
| Number of reflections | 108388 | |
| <I/σ(I)> | 29.8 | 2.1 |
| Completeness [%] | 96.6 | 91.9 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 291 | PEG 3350, magnesium chloride, Bis-Tris |
