7HLM
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29077827
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 | 2024-05-22 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.92124 |
Spacegroup name | I 4 |
Unit cell lengths | 95.509, 95.509, 45.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.790 - 1.150 |
R-factor | 0.1779 |
Rwork | 0.177 |
R-free | 0.19170 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.948 |
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] | 33.760 | 33.760 | 1.170 |
High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
Rmerge | 0.028 | 0.038 | 0.147 |
Rmeas | 0.029 | 0.040 | 0.208 |
Rpim | 0.008 | 0.013 | 0.147 |
Total number of observations | 588195 | 5893 | 441 |
Number of reflections | 61914 | 485 | 434 |
<I/σ(I)> | 43 | 131.6 | 1.7 |
Completeness [%] | 84.3 | 99.5 | 12.1 |
Redundancy | 9.5 | 12.2 | 1 |
CC(1/2) | 0.999 | 0.994 | 0.947 |
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 |