9OWC
Human WRN helicase in complex with allosteric ligand Compound 7
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.780, 58.358, 132.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.080 - 1.670 |
| R-factor | 0.16138 |
| Rwork | 0.156 |
| R-free | 0.20624 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.318 |
| 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] | 66.083 | 1.697 |
| High resolution limit [Å] | 1.668 | 1.668 |
| Rmerge | 0.088 | 1.749 |
| Number of reflections | 52706 | 2579 |
| <I/σ(I)> | 11.3 | 1.3 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 8.4 | 8.5 |
| CC(1/2) | 0.998 | 0.530 |
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 |
