7HLP
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29634868
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 | 2024-05-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.016, 95.016, 45.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.620 - 1.190 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.19830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.871 |
| 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] | 33.580 | 33.580 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.063 | 0.047 | 0.844 |
| Rmeas | 0.066 | 0.049 | 1.103 |
| Rpim | 0.018 | 0.015 | 0.698 |
| Total number of observations | 573574 | 5403 | 1889 |
| Number of reflections | 59389 | 430 | 1288 |
| <I/σ(I)> | 14.7 | 71.8 | 0.3 |
| Completeness [%] | 91.4 | 99.4 | 40.1 |
| Redundancy | 9.7 | 12.6 | 1.5 |
| CC(1/2) | 0.999 | 0.980 | 0.441 |
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 |
