7HO3
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z405825414
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.428, 95.428, 45.683 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.480 - 1.450 |
| R-factor | 0.1683 |
| Rwork | 0.167 |
| R-free | 0.18490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.956 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.470 | 67.470 | 1.480 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.314 | 0.076 | 8.848 |
| Rmeas | 0.327 | 0.080 | 9.378 |
| Rpim | 0.091 | 0.024 | 3.055 |
| Total number of observations | 473460 | 2885 | 17079 |
| Number of reflections | 36545 | 244 | 1793 |
| <I/σ(I)> | 19 | 71.9 | 2.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 13 | 11.8 | 9.5 |
| CC(1/2) | 0.999 | 0.996 | 0.152 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8 |
