9O14
Crystal Structure of BCL-2 in complex with a stapled BAD BH3 peptide BAD SAHB 4.2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.920, 58.530, 61.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.850 - 1.730 |
| R-factor | 0.1962 |
| Rwork | 0.195 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.641 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.840 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.123 | 2.053 |
| Rmeas | 0.133 | 2.699 |
| Rpim | 0.049 | 1.010 |
| Total number of observations | 146346 | 6910 |
| Number of reflections | 20222 | 976 |
| <I/σ(I)> | 9 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.998 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 15.0% PEG-3350 and 150 mM CsCl |
