5R87
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z44592329 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 | 54.650, 54.650, 75.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.220 - 1.470 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.21280 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nvh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.788 |
| 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] | 44.180 | 44.180 | 1.510 |
| High resolution limit [Å] | 1.470 | 6.570 | 1.470 |
| Rmerge | 0.050 | 0.043 | 1.611 |
| Rmeas | 0.054 | 0.048 | 1.747 |
| Rpim | 0.021 | 0.019 | 0.672 |
| Total number of observations | 247144 | 2810 | 18419 |
| Number of reflections | 37383 | ||
| <I/σ(I)> | 16.6 | 40.4 | 1.1 |
| Completeness [%] | 99.6 | 99.8 | 99.8 |
| Redundancy | 6.6 | 6.3 | 6.6 |
| CC(1/2) | 0.998 | 0.993 | 0.468 |
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 |
