32QM
Human TRIM21 PRYSPRY domain in complex with compound 5 (Z31)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-08-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 62 |
| Unit cell lengths | 64.593, 64.593, 73.527 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.940 - 1.500 |
| R-factor | 0.16511 |
| Rwork | 0.164 |
| R-free | 0.19636 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.442 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.940 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 1.079 |
| Rmeas | 0.052 | 1.106 |
| Rpim | 0.011 | 0.239 |
| Total number of observations | 580208 | 28264 |
| Number of reflections | 27917 | 1351 |
| <I/σ(I)> | 29.5 | 2.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.8 | 20.9 |
| CC(1/2) | 1.000 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 2.3 M Sodium Chloride 0.1 M Sodium Citrate |
