7HMJ
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1578665941
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 | 2024-07-10 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.832, 95.832, 45.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.960 - 1.500 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.21370 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.601 |
| 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] | 47.900 | 47.900 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.210 | 1.500 |
| Rmerge | 0.165 | 0.081 | 3.587 |
| Rmeas | 0.172 | 0.085 | 3.773 |
| Rpim | 0.047 | 0.026 | 1.168 |
| Total number of observations | 445491 | 2535 | 17006 |
| Number of reflections | 33483 | 227 | 1631 |
| <I/σ(I)> | 10.3 | 55.9 | 0.4 |
| Completeness [%] | 100.0 | 99.6 | 99.4 |
| Redundancy | 13.3 | 11.2 | 10.4 |
| CC(1/2) | 0.999 | 0.990 | 0.298 |
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 |
