4A1W
Crystal structure of alpha-beta foldamer 4c 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 | 2010-12-11 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.213, 106.290, 100.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.027 - 2.497 |
| R-factor | 0.2004 |
| Rwork | 0.197 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.155 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.180 | 0.920 |
| Number of reflections | 30333 | |
| <I/σ(I)> | 14.99 | 2.17 |
| Completeness [%] | 99.3 | 96.3 |
| Redundancy | 6.55 | 5.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% (W/V) PEG 3350, 0.2 M LITHIUM SULFATE, 0.1 M HEPES PH 7.5. |
