6U64
Mcl-1 bound to compound 17
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 | CCD |
| Collection date | 2013-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.96295 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 111.680, 111.680, 72.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.960 - 2.550 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.540 | 6.920 | 2.550 |
| Rmerge | 0.069 | 0.058 | 0.649 |
| Number of reflections | 5833 | 301 | 284 |
| <I/σ(I)> | 15.1 | ||
| Completeness [%] | 99.6 | 95 | 100 |
| Redundancy | 20.9 | 17.6 | 21.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30% PEG 3350, 0.2 mM MgCl2 and 0.1 M ADA pH 6.5 |
