7HLK
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z285642082
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 | 95.708, 95.708, 45.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.260 - 1.390 |
| R-factor | 0.1897 |
| Rwork | 0.189 |
| R-free | 0.21220 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.676 |
| 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] | 31.240 | 31.240 | 1.410 |
| High resolution limit [Å] | 1.390 | 7.350 | 1.390 |
| Rmerge | 0.133 | 0.063 | 4.682 |
| Rmeas | 0.138 | 0.066 | 4.964 |
| Rpim | 0.038 | 0.019 | 1.618 |
| Total number of observations | 517352 | 3727 | 18228 |
| Number of reflections | 40466 | 301 | 2001 |
| <I/σ(I)> | 11.6 | 77.1 | 0.4 |
| Completeness [%] | 96.8 | 98.7 | 90.2 |
| Redundancy | 12.8 | 12.4 | 9.1 |
| CC(1/2) | 0.998 | 0.999 | 0.284 |
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 |
