8VIJ
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin Y34F C51S C71S variant (cyanomet)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-03 |
Detector | RIGAKU HyPix-Arc 100 |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.464, 105.154, 151.319 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.970 - 1.350 |
R-factor | 0.1638 |
Rwork | 0.163 |
R-free | 0.20120 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.780 |
Data reduction software | CrysalisPro (CrysAlisPro 42.64a) |
Data scaling software | CrysalisPro (CrysAlisPro 42.64a) |
Phasing software | PHASER (1.21rc1_5072) |
Refinement software | PHENIX (1.21rc1_5072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.970 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 97066 | 9662 |
<I/σ(I)> | 11.02 | 3.46 |
Completeness [%] | 99.0 | 98.6 |
Redundancy | 5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 23% PEG MME 2000, 100 mM Bis-Tris pH 6.5, 10 mM KCN |