7HNG
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1568344634
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 | 2024-07-03 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.436, 95.436, 45.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.400 - 1.340 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20220 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.689 |
| 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] | 41.360 | 41.360 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.220 | 1.340 |
| Rmerge | 0.122 | 0.066 | 1.635 |
| Rmeas | 0.127 | 0.069 | 1.806 |
| Rpim | 0.035 | 0.021 | 0.726 |
| Total number of observations | 547453 | 3968 | 12521 |
| Number of reflections | 45816 | 326 | 2054 |
| <I/σ(I)> | 9.8 | 47.3 | 0.5 |
| Completeness [%] | 98.7 | 99.6 | 88 |
| Redundancy | 11.9 | 12.2 | 6.1 |
| CC(1/2) | 0.998 | 0.994 | 0.277 |
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 |
