9OWA
Human WRN helicase in complex with allosteric ligand Compound 2
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-06 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.060, 57.950, 132.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.900 - 1.980 |
| R-factor | 0.25927 |
| Rwork | 0.254 |
| R-free | 0.30561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.371 |
| 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] | 38.900 | 2.018 |
| High resolution limit [Å] | 1.980 | 1.984 |
| Rmerge | 0.749 | |
| Number of reflections | 23910 | 1152 |
| <I/σ(I)> | 6.3 | 1.4 |
| Completeness [%] | 76.8 | 75.5 |
| Redundancy | 3.2 | 2.6 |
| CC(1/2) | 0.989 | 0.723 |
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 |
