5R8O
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1881545321 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 | 54.540, 54.540, 75.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.350 - 1.420 |
| R-factor | 0.1959 |
| Rwork | 0.195 |
| R-free | 0.21570 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nvh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.898 |
| 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] | 37.640 | 37.640 | 1.460 |
| High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
| Rmerge | 0.045 | 0.037 | 1.495 |
| Rmeas | 0.048 | 0.041 | 1.631 |
| Rpim | 0.019 | 0.016 | 0.647 |
| Total number of observations | 274063 | 3132 | 19386 |
| Number of reflections | 41549 | ||
| <I/σ(I)> | 18.2 | 48.9 | 1.1 |
| Completeness [%] | 99.9 | 99.3 | 99.9 |
| Redundancy | 6.6 | 6.4 | 6.3 |
| CC(1/2) | 0.999 | 0.997 | 0.472 |
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 |
