9ZTB
Crystal Structure of the macrodomain in the complex with suramin analog from Venezuelan equine encephalitis virus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.471, 39.650, 56.060 |
| Unit cell angles | 82.63, 69.39, 61.97 |
Refinement procedure
| Resolution | 34.960 - 1.670 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.862 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.107 | 0.279 |
| Rmeas | 0.132 | 0.347 |
| Number of reflections | 26769 | 1616 |
| <I/σ(I)> | 8.7 | 2.9 |
| Completeness [%] | 82.3 | 95.7 |
| Redundancy | 2.8 | 2.7 |
| CC(1/2) | 0.988 | 0.603 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.01 M sodium citrate, 33 % w/v PEG 6000 |
