7E4S
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with HEPES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-25 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.290, 189.250, 117.800 |
Unit cell angles | 90.00, 106.24, 90.00 |
Refinement procedure
Resolution | 47.310 - 2.790 |
R-factor | 0.1682 |
Rwork | 0.165 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ywk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.103 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.310 | 2.960 |
High resolution limit [Å] | 2.790 | 2.790 |
Number of reflections | 48121 | 7729 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 98.1 | |
Redundancy | 3.16 | |
CC(1/2) | 0.989 | 0.414 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES, 1 mM 4-deoxy-L-threo-5-hexosulose-uronate, 1 mM rhamnose,10% PEG 6000, 25% ethylene glycol |