7YRS
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with MOPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.404, 187.400, 108.934 |
| Unit cell angles | 90.00, 112.49, 90.00 |
Refinement procedure
| Resolution | 49.549 - 2.802 |
| R-factor | 0.1926 |
| Rwork | 0.189 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7e4s |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.741 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.102 | 0.391 |
| Number of reflections | 40666 | 12569 |
| <I/σ(I)> | 6.36 | 1.63 |
| Completeness [%] | 96.2 | 96.1 |
| Redundancy | 2.02 | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MOPS (pH 6.5), 1 mM 4-deoxy-L-threo-5-hexosulose-uronate, 1 mM rhamnose, 12% PEG 4000 |
