7XGG
Crystal structure of BCL-xL in complex with computationally designed inhibitor protein
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97403 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.612, 68.539, 80.517 |
| Unit cell angles | 100.89, 110.57, 108.73 |
Refinement procedure
| Resolution | 38.130 - 1.900 |
| R-factor | 0.1665 |
| Rwork | 0.166 |
| R-free | 0.19670 |
| Structure solution method | MAD |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.600 | 5.160 | 1.900 |
| Rmerge | 0.073 | 0.065 | 0.322 |
| Rmeas | 0.103 | 0.076 | 0.391 |
| Rpim | 0.073 | 0.038 | 0.217 |
| Number of reflections | 162032 | 4218 | 3987 |
| <I/σ(I)> | 3.1 | ||
| Completeness [%] | 96.7 | 99.5 | 95.3 |
| Redundancy | 1.8 | 3.9 | 3.1 |
| CC(1/2) | 0.996 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 4% PEG 3,000(w/v), 0.1M Sodium acetate(pH4.5) |
