7HND
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z52314092
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 | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.387, 95.387, 45.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.750 - 1.340 |
| R-factor | 0.1837 |
| Rwork | 0.183 |
| R-free | 0.20380 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.702 |
| 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] | 33.720 | 33.720 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.116 | 0.048 | 2.020 |
| Rmeas | 0.121 | 0.051 | 2.242 |
| Rpim | 0.034 | 0.016 | 0.960 |
| Total number of observations | 546720 | 3713 | 11805 |
| Number of reflections | 46407 | 307 | 2225 |
| <I/σ(I)> | 12.7 | 73.6 | 0.5 |
| Completeness [%] | 99.9 | 99.2 | 98 |
| Redundancy | 11.8 | 12.1 | 5.3 |
| CC(1/2) | 0.998 | 0.998 | 0.382 |
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 |
