2YJ1
Puma BH3 foldamer in complex with Bcl-xL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.918, 71.382, 75.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.439 - 2.240 |
| R-factor | 0.1936 |
| Rwork | 0.190 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.164 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (FOR MR) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.180 | 0.520 |
| Number of reflections | 15846 | |
| <I/σ(I)> | 14.2 | 3.3 |
| Completeness [%] | 99.4 | 97.1 |
| Redundancy | 8.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.05 M CADMIUM SULPHATE 1.0 M SODIUM ACETATE 0.1 M HEPES PH 7.5. |
