9YG7
Crystal structure of Shewanella benthica group 1 truncated hemoglobin H24I/C51S/ C71S variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2025-05-09 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.593, 104.992, 150.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.860 - 1.600 |
| R-factor | 0.1772 |
| Rwork | 0.176 |
| R-free | 0.20090 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.920 |
| Data reduction software | CrysalisPro (43.90) |
| Data scaling software | CrysalisPro (43.90) |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.860 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.011 | 0.059 |
| Number of reflections | 59443 | 5947 |
| <I/σ(I)> | 88.7 | 16.38 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.2 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1 mM Protein 10 mM KCN 0.1 M Bis-Tris pH 6.5 27% PEG MME 2000 |
