7HNR
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1545312521
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 | 95.358, 95.358, 45.773 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.430 - 1.300 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.20190 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.814 |
| 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] | 67.410 | 67.410 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.080 | 0.030 | 1.466 |
| Rmeas | 0.084 | 0.031 | 1.706 |
| Rpim | 0.024 | 0.009 | 0.834 |
| Total number of observations | 563024 | 4156 | 9280 |
| Number of reflections | 50408 | 340 | 2363 |
| <I/σ(I)> | 15.5 | 96.3 | 0.4 |
| Completeness [%] | 99.5 | 99.9 | 93.4 |
| Redundancy | 11.2 | 12.2 | 3.9 |
| CC(1/2) | 0.999 | 1.000 | 0.284 |
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 |
