7VGK
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-08 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.190, 130.980, 157.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.120 - 3.100 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ywk |
RMSD bond length | 0.002 |
RMSD bond angle | 0.511 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL2Map |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.596 | |
Rmeas | 0.098 | |
Rpim | 0.044 | 0.265 |
Number of reflections | 35643 | 1735 |
<I/σ(I)> | 20.8 | |
Completeness [%] | 99.4 | |
Redundancy | 5.7 | |
CC(1/2) | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | PEG 8000, magnesium acetate |