4HNJ
Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 94.829, 94.829, 111.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.878 - 2.900 |
| R-factor | 0.2079 |
| Rwork | 0.206 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r2d |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.775 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 4.960 | 2.900 |
| Number of reflections | 11326 | ||
| <I/σ(I)> | 38.5 | ||
| Completeness [%] | 96.0 | 99.8 | 68.9 |
| Redundancy | 21.7 | 26.7 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.2 M CaCl2, 0.1 M NaOAc, 20% V/V isopropanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
