7HLE
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1696844792
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 | 2024-05-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.889, 95.889, 45.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.920 - 1.400 |
| R-factor | 0.1841 |
| Rwork | 0.183 |
| R-free | 0.20880 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.716 |
| 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] | 33.900 | 33.900 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.660 | 1.400 |
| Rmerge | 0.100 | 0.050 | 2.690 |
| Rmeas | 0.104 | 0.053 | 2.869 |
| Rpim | 0.029 | 0.017 | 0.986 |
| Total number of observations | 512150 | 3248 | 16858 |
| Number of reflections | 41073 | 272 | 2003 |
| <I/σ(I)> | 12.8 | 58.4 | 0.5 |
| Completeness [%] | 100.0 | 99.1 | 99.5 |
| Redundancy | 12.5 | 11.9 | 8.4 |
| CC(1/2) | 0.998 | 0.973 | 0.361 |
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 |
