7HLB
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z45705015
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 | 2024-05-21 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.828, 95.828, 45.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.230 - 1.210 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.19700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.808 |
| 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] | 31.210 | 31.210 | 1.230 |
| High resolution limit [Å] | 1.210 | 6.520 | 1.210 |
| Rmerge | 0.056 | 0.046 | 1.142 |
| Rmeas | 0.058 | 0.049 | 1.431 |
| Rpim | 0.016 | 0.015 | 0.843 |
| Total number of observations | 586709 | 5436 | 3221 |
| Number of reflections | 55750 | 431 | 1405 |
| <I/σ(I)> | 18.3 | 72.7 | 0.4 |
| Completeness [%] | 88.4 | 99.3 | 43.6 |
| Redundancy | 10.5 | 12.6 | 2.3 |
| CC(1/2) | 1.000 | 0.998 | 0.309 |
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 |
