4BPJ
Mcl-1 bound to alpha beta Puma BH3 peptide 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2011-08-11 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.458, 60.260, 44.804 |
| Unit cell angles | 90.00, 118.47, 90.00 |
Refinement procedure
| Resolution | 19.693 - 1.599 |
| R-factor | 0.2008 |
| Rwork | 0.199 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nl9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.089 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.690 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.460 |
| Number of reflections | 24069 | |
| <I/σ(I)> | 15.78 | 2.53 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 3.57 | 5.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2M IMADAZOLE, PH7.0 0.2M ZINC ACETATE |
