3D7V
Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 51.171, 69.635, 120.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.030 |
| R-factor | 0.19441 |
| Rwork | 0.192 |
| R-free | 0.24108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nl9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.194 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.300 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.044 | 0.204 |
| Number of reflections | 13365 | |
| <I/σ(I)> | 3.1 | |
| Completeness [%] | 98.7 | 96.1 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 0.2M Zinc Acetate, 0.2M Imidazole, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
