7HNE
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1343518214
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 | 95.393, 95.393, 45.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.450 - 1.330 |
| R-factor | 0.1776 |
| Rwork | 0.177 |
| R-free | 0.19750 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.876 |
| 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] | 67.440 | 67.440 | 1.350 |
| High resolution limit [Å] | 1.330 | 7.280 | 1.330 |
| Rmerge | 0.096 | 0.048 | 1.308 |
| Rmeas | 0.100 | 0.050 | 1.442 |
| Rpim | 0.028 | 0.015 | 0.575 |
| Total number of observations | 551574 | 3823 | 11539 |
| Number of reflections | 46243 | 317 | 1844 |
| <I/σ(I)> | 18.2 | 86.4 | 1.1 |
| Completeness [%] | 97.5 | 99.9 | 78.9 |
| Redundancy | 11.9 | 12.1 | 6.3 |
| CC(1/2) | 0.996 | 0.997 | 0.332 |
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 |
