8TLS
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y108A variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2022-11-29 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 66.718, 66.718, 125.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.900 - 1.700 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.21390 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.074 |
| Data reduction software | CrysalisPro (1.171.42.49) |
| Data scaling software | CrysalisPro (1.171.42.49) |
| Phasing software | PHENIX (dev-4788-000) |
| Refinement software | PHENIX ((dev_4788: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.280 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.042 | 0.213 |
| Number of reflections | 59860 | 5978 |
| <I/σ(I)> | 24.07 | 4.08 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 5.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 27% PEG MME 2000, 100 mM Bis-Tris pH 5.1, 10 mM KCN, Excluded from light |
