9OWD
Human WRN helicase in complex with allosteric ligand Compound 9
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.984, 58.268, 132.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.390 - 1.960 |
| R-factor | 0.22973 |
| Rwork | 0.225 |
| R-free | 0.27228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.331 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.210 | 1.998 |
| High resolution limit [Å] | 1.960 | 1.964 |
| Rmerge | 0.060 | 1.472 |
| Number of reflections | 32828 | 1656 |
| <I/σ(I)> | 15.4 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.4 | 8 |
| CC(1/2) | 0.999 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 23-24.5% w/v PEG1500, 100 mM MMT, pH 5.75-6.25 |
