7HM9
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1222331430
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.501, 95.501, 45.689 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.530 - 1.250 |
| R-factor | 0.1797 |
| Rwork | 0.179 |
| R-free | 0.19960 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.831 |
| 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] | 67.520 | 67.520 | 1.270 |
| High resolution limit [Å] | 1.250 | 6.730 | 1.250 |
| Rmerge | 0.075 | 0.059 | 1.460 |
| Rmeas | 0.079 | 0.062 | 1.658 |
| Rpim | 0.022 | 0.018 | 0.758 |
| Total number of observations | 578560 | 5095 | 5802 |
| Number of reflections | 50642 | 403 | 1297 |
| <I/σ(I)> | 16.5 | 76.4 | 0.5 |
| Completeness [%] | 89.0 | 99.9 | 45.5 |
| Redundancy | 11.4 | 12.6 | 4.5 |
| CC(1/2) | 0.998 | 0.993 | 0.327 |
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 |
