7HMB
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1374778753
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.409, 95.409, 45.847 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.460 - 1.360 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.690 |
| 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] | 67.450 | 67.450 | 1.380 |
| High resolution limit [Å] | 1.360 | 7.450 | 1.360 |
| Rmerge | 0.104 | 0.048 | 2.478 |
| Rmeas | 0.109 | 0.050 | 2.708 |
| Rpim | 0.030 | 0.015 | 1.076 |
| Total number of observations | 534013 | 3653 | 13723 |
| Number of reflections | 44412 | 303 | 2164 |
| <I/σ(I)> | 11.8 | 62.8 | 0.4 |
| Completeness [%] | 100.0 | 99.9 | 99.8 |
| Redundancy | 12 | 12.1 | 6.3 |
| CC(1/2) | 0.999 | 1.000 | 0.322 |
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 |
