8W3A
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2023-10-25 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.357, 104.809, 150.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.250 - 1.800 |
| R-factor | 0.1999 |
| Rwork | 0.198 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.659 |
| Data reduction software | CrysalisPro (42.95a) |
| Data scaling software | CrysalisPro (42.95a) |
| Phasing software | PHASER (1.21_5207: 000) |
| Refinement software | PHENIX (1.21_5207: 000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.250 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.032 | 0.278 |
| Number of reflections | 41341 | 4135 |
| <I/σ(I)> | 54.01 | 3.97 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 6.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 25% PEG MME 2000, 10 mM KCN, 18 days in the dark, 43 days exposed to laboratory ambient light |
