3FDM
alpha/beta foldamer in complex with Bcl-xL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.161, 92.281, 165.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 2.260 |
| R-factor | 0.17561 |
| Rwork | 0.172 |
| R-free | 0.23483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2P1L without Beclin BH3 ligand |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.614 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.062 | 0.182 |
| Number of reflections | 25355 | |
| <I/σ(I)> | 38.6 | 13.1 |
| Completeness [%] | 95.2 | 90.5 |
| Redundancy | 9.4 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350, 0.2M Lithium Nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
