7HLR
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1430613393
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 | 95.569, 95.569, 45.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.580 - 1.340 |
| R-factor | 0.1806 |
| Rwork | 0.180 |
| R-free | 0.19970 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.772 |
| 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] | 67.580 | 67.580 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.114 | 0.094 | 2.010 |
| Rmeas | 0.119 | 0.099 | 2.203 |
| Rpim | 0.033 | 0.032 | 0.867 |
| Total number of observations | 546051 | 3464 | 11679 |
| Number of reflections | 46080 | 308 | 1922 |
| <I/σ(I)> | 12.1 | 51.4 | 0.6 |
| Completeness [%] | 99.0 | 99.9 | 84.9 |
| Redundancy | 11.9 | 11.2 | 6.1 |
| CC(1/2) | 0.998 | 0.969 | 0.320 |
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 |
