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) |