5R86
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z943693514 in complex with INTERLEUKIN-1 BETA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96871 |
| Spacegroup name | P 43 |
| Unit cell lengths | 54.670, 54.670, 75.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.400 - 1.500 |
| R-factor | 0.1938 |
| Rwork | 0.193 |
| R-free | 0.21890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nvh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.808 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.560 | 37.560 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.050 | 0.038 | 1.443 |
| Rmeas | 0.054 | 0.042 | 1.565 |
| Rpim | 0.021 | 0.017 | 0.600 |
| Total number of observations | 232727 | 2667 | 17329 |
| Number of reflections | 35360 | ||
| <I/σ(I)> | 16.8 | 40.4 | 1.2 |
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 6.6 | 6.3 | 6.6 |
| CC(1/2) | 0.999 | 0.994 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 291 | 2.8M ammonium sulphate, 0.1M Tris pH7.9 |
