7HNB
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z31478538
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 | 95.511, 95.511, 45.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.800 - 1.520 |
| R-factor | 0.1822 |
| Rwork | 0.181 |
| R-free | 0.20830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.611 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.760 | 47.760 | 1.600 |
| High resolution limit [Å] | 1.520 | 4.800 | 1.520 |
| Rmerge | 0.175 | 0.055 | 3.289 |
| Rmeas | 0.182 | 0.057 | 3.447 |
| Rpim | 0.049 | 0.016 | 1.023 |
| Total number of observations | 431204 | 13573 | 52050 |
| Number of reflections | 32043 | 1063 | 4617 |
| <I/σ(I)> | 8.9 | 34.2 | 0.7 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 13.5 | 12.8 | 11.3 |
| CC(1/2) | 0.998 | 0.999 | 0.407 |
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 |
