8VSH
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 | 2023-10-17 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.364, 104.604, 150.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.030 - 2.000 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22600 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.609 |
Data reduction software | CrysalisPro (42.95a) |
Data scaling software | CrysalisPro (42.95a) |
Phasing software | PHASER (1.21rc1_5072) |
Refinement software | PHENIX (1.21rc1_5072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.030 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.034 | 0.178 |
Number of reflections | 30478 | 3055 |
<I/σ(I)> | 32.38 | 5.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.4 | 7.7 |
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 |