7HLZ
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z256709358
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 | 2024-05-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.430, 95.430, 45.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.350 - 1.290 |
| R-factor | 0.1767 |
| Rwork | 0.176 |
| R-free | 0.19540 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.851 |
| 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] | 41.320 | 41.320 | 1.310 |
| High resolution limit [Å] | 1.290 | 6.950 | 1.290 |
| Rmerge | 0.077 | 0.065 | 1.107 |
| Rmeas | 0.081 | 0.068 | 1.323 |
| Rpim | 0.023 | 0.021 | 0.697 |
| Total number of observations | 564213 | 4395 | 8659 |
| Number of reflections | 51533 | 362 | 2363 |
| <I/σ(I)> | 16.7 | 71.2 | 0.7 |
| Completeness [%] | 99.2 | 99.6 | 89.6 |
| Redundancy | 10.9 | 12.1 | 3.7 |
| CC(1/2) | 0.999 | 0.988 | 0.239 |
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 |
