7HM3
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1359419878
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.511, 95.511, 45.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.370 - 1.230 |
| R-factor | 0.1787 |
| Rwork | 0.178 |
| R-free | 0.19770 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.803 |
| 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] | 41.330 | 41.330 | 1.250 |
| High resolution limit [Å] | 1.230 | 6.740 | 1.230 |
| Rmerge | 0.072 | 0.058 | 1.113 |
| Rmeas | 0.076 | 0.061 | 1.382 |
| Rpim | 0.021 | 0.018 | 0.799 |
| Total number of observations | 584046 | 5042 | 4467 |
| Number of reflections | 55882 | 401 | 1717 |
| <I/σ(I)> | 16.7 | 50.7 | 0.7 |
| Completeness [%] | 93.2 | 99.7 | 58.3 |
| Redundancy | 10.5 | 12.6 | 2.6 |
| CC(1/2) | 0.999 | 0.990 | 0.331 |
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 |
