7N67
Crystal structure of HCAN_0198, a 3,4-ketoisomerase from Helicobacter canadensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-10 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.944, 92.944, 85.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.790 - 2.500 |
| R-factor | 0.2044 |
| Rwork | 0.200 |
| R-free | 0.27760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tpu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.465 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 14924 | 1656 |
| <I/σ(I)> | 20.3 | 3.6 |
| Completeness [%] | 98.5 | 98.7 |
| Redundancy | 16.1 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | protein incubated with 5 mM TDP. precipitant = 7-13% PEG-8000, 1 M tetramethyl ammonium chloride, 100 mM HEPES (pH 7.5) |
