7HLN
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z26823525
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 | 95.309, 95.309, 45.826 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.230 - 1.200 |
| R-factor | 0.1756 |
| Rwork | 0.175 |
| R-free | 0.19360 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.856 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
| Rmerge | 0.080 | 0.075 | 1.020 |
| Rmeas | 0.084 | 0.078 | 1.323 |
| Rpim | 0.024 | 0.023 | 0.833 |
| Total number of observations | 585684 | 5312 | 2587 |
| Number of reflections | 56056 | 423 | 1332 |
| <I/σ(I)> | 14.9 | 59.6 | 0.5 |
| Completeness [%] | 87.4 | 99.3 | 42.7 |
| Redundancy | 10.4 | 12.6 | 1.9 |
| CC(1/2) | 0.999 | 0.995 | 0.283 |
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 |
