5R7W
PanDDA analysis group deposition of ground-state model of 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 PILATUS3 6M |
| Wavelength(s) | 0.96871 |
| Spacegroup name | P 43 |
| Unit cell lengths | 54.572, 54.572, 75.836 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.630 - 1.270 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.20260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nvh |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.008 |
| 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] | 54.570 | 54.570 | 1.340 |
| High resolution limit [Å] | 1.270 | 4.010 | 1.270 |
| Rmerge | 0.041 | 0.030 | 1.622 |
| Rmeas | 0.044 | 0.033 | 1.783 |
| Rpim | 0.017 | 0.013 | 0.734 |
| Total number of observations | 384038 | 11485 | 50474 |
| Number of reflections | 58910 | ||
| <I/σ(I)> | 17.6 | 59 | 1 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 6.5 | 6 | 5.9 |
| CC(1/2) | 0.999 | 0.998 | 0.395 |
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 |
