6W74
Structure of cIAP with compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99988 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 49.037, 33.651, 57.610 |
| Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
| Resolution | 27.400 - 2.110 |
| R-factor | 0.191 |
| Rwork | 0.187 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kmn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.400 | 2.116 |
| High resolution limit [Å] | 2.100 | 2.107 |
| Rmerge | 0.070 | 0.418 |
| Number of reflections | 4750 | 63 |
| <I/σ(I)> | 9.9 | 2.3 |
| Completeness [%] | 88.6 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.997 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M Magnesium Acetate Tetrahydrate, 20% w/v PEG3350 |
