7HLX
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z32367954
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 | 95.400, 95.400, 45.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.380 - 1.280 |
| R-factor | 0.1768 |
| Rwork | 0.176 |
| R-free | 0.19510 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.833 |
| 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] | 41.350 | 41.350 | 1.310 |
| High resolution limit [Å] | 1.280 | 5.720 | 1.280 |
| Rmerge | 0.054 | 0.024 | 1.242 |
| Rmeas | 0.056 | 0.025 | 1.474 |
| Rpim | 0.016 | 0.007 | 0.761 |
| Total number of observations | 566444 | 8086 | 12108 |
| Number of reflections | 52633 | 643 | 3477 |
| <I/σ(I)> | 19 | 71.2 | 0.9 |
| Completeness [%] | 98.9 | 99.7 | 88.7 |
| Redundancy | 10.8 | 12.6 | 3.5 |
| CC(1/2) | 1.000 | 1.000 | 0.339 |
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 |
