9FHF
Crystal structure of human Glucose-6-phosphate isomerase with dihydroxyacetone phosphate ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.676, 108.313, 271.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.050 - 1.800 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.092 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.050 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.269 | 3.017 |
Rmeas | 0.280 | 3.133 |
Rpim | 0.076 | 0.836 |
Number of reflections | 220113 | 21752 |
<I/σ(I)> | 9.74 | 1.56 |
Completeness [%] | 99.9 | 99.91 |
Redundancy | 13.5 | 13.7 |
CC(1/2) | 0.998 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Protein buffer: 20 mM Tris pH 7.4, 30 mM NaCl, 20 dihydroxyacetone phosphate ligand. Reservoir: 21% w/v PEG3500, 0.16 M CaCl2, and 0.058 M HEPES, pH 7.0 Co-crystallization with ligand: Hanging drop: 1.5:0.5:1.5 ul - Protein (8 mg/ml):Seed stock:Reservoir. Cryoprotectant = a mixture containing the mother liquor, 24% v/v glycerol, and 15-20 mM ligand. |