5R8M
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 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 | 54.560, 54.560, 75.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.270 - 1.390 |
| R-factor | 0.1918 |
| Rwork | 0.191 |
| R-free | 0.21030 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nvh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.880 |
| 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] | 44.230 | 44.230 | 1.430 |
| High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
| Rmerge | 0.043 | 0.033 | 1.422 |
| Rmeas | 0.046 | 0.036 | 1.552 |
| Rpim | 0.018 | 0.015 | 0.613 |
| Total number of observations | 291260 | 3258 | 20062 |
| Number of reflections | 44148 | ||
| <I/σ(I)> | 18.6 | 48.8 | 1.2 |
| Completeness [%] | 99.3 | 99.8 | 98.4 |
| Redundancy | 6.6 | 6.2 | 6.2 |
| CC(1/2) | 0.999 | 0.997 | 0.441 |
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 |
