3WIY
Crystal structure of Mcl-1 in complex with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.288, 65.498, 97.773 |
| Unit cell angles | 101.92, 89.83, 99.26 |
Refinement procedure
| Resolution | 36.810 - 2.150 |
| R-factor | 0.21419 |
| Rwork | 0.211 |
| R-free | 0.28293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pqk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.150 | 2.090 |
| Number of reflections | 46298 | |
| <I/σ(I)> | 12.1 | 1.8 |
| Completeness [%] | 95.0 | 95.7 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-tris pH 6.5, 22% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
