2NLA
Crystal structure of the Mcl-1:mNoxaB BH3 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9715 |
| Spacegroup name | P 63 |
| Unit cell lengths | 85.381, 85.381, 46.916 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.920 - 2.800 |
| R-factor | 0.211 |
| Rwork | 0.207 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.341 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (V. 1.3.1) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.068 | 0.646 |
| Number of reflections | 4938 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12% PEG 4K, 4% isopropanol, 5% dioxane, 0.1M tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
