8GF3
Crystallographic structure from BlMan5_7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.355020 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.722, 164.744, 84.711 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.800 - 1.300 |
| R-factor | 0.1289 |
| Rwork | 0.128 |
| R-free | 0.15020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.454 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2-4158-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 1.346 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rpim | 0.019 | 0.183 |
| Number of reflections | 102950 | 9970 |
| <I/σ(I)> | 20.64 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.999 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 4 M sodium formate |
