5ABE
Structure of GH84 with ligand
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 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 51.572, 159.605, 223.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 129.810 - 2.000 |
| R-factor | 0.20891 |
| Rwork | 0.207 |
| R-free | 0.24434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.638 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 129.800 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 1.430 |
| Number of reflections | 125695 | |
| <I/σ(I)> | 10.4 | 1.4 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
