7HMQ
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1267773633
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 | 2024-05-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.480, 95.480, 45.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.280 - 1.430 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.20270 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.729 |
| 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] | 31.260 | 31.260 | 1.470 |
| High resolution limit [Å] | 1.430 | 6.400 | 1.430 |
| Rmerge | 0.116 | 0.044 | 2.764 |
| Rmeas | 0.120 | 0.046 | 2.928 |
| Rpim | 0.033 | 0.013 | 0.954 |
| Total number of observations | 490982 | 5702 | 25929 |
| Number of reflections | 38341 | 455 | 2808 |
| <I/σ(I)> | 12.1 | 46.6 | 0.8 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 12.8 | 12.5 | 9.2 |
| CC(1/2) | 0.999 | 0.999 | 0.330 |
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 |
