7HM4
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1407673036
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 | 95.733, 95.733, 45.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.310 - 1.420 |
| R-factor | 0.1888 |
| Rwork | 0.188 |
| R-free | 0.21310 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.598 |
| 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] | 41.260 | 41.260 | 1.440 |
| High resolution limit [Å] | 1.420 | 7.770 | 1.420 |
| Rmerge | 0.139 | 0.071 | 3.386 |
| Rmeas | 0.145 | 0.075 | 3.597 |
| Rpim | 0.040 | 0.023 | 1.201 |
| Total number of observations | 496399 | 3072 | 17359 |
| Number of reflections | 39250 | 263 | 1952 |
| <I/σ(I)> | 9.7 | 53.2 | 0.4 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 12.6 | 11.7 | 8.9 |
| CC(1/2) | 0.998 | 0.992 | 0.314 |
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 |
