9IGC
Structure of human Bcl-xL in complex with small molecule inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER TURBO X-RAY SOURCE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2015-01-16 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.489, 67.664, 67.018 |
| Unit cell angles | 90.00, 96.18, 90.00 |
Refinement procedure
| Resolution | 21.100 - 2.100 |
| R-factor | 0.1963 |
| Rwork | 0.194 |
| R-free | 0.24684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.677 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.200 | 2.170 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.148 | 0.561 |
| Number of reflections | 32186 | 4077 |
| <I/σ(I)> | 8.2 | 1.9 |
| Completeness [%] | 99.4 | 96.1 |
| Redundancy | 6.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 284 | 0.2 M Ca Acetate, 0.1 M Na Acetate buffer pH 5.5, 10 % PegMME550, 10% Peg3350 |
