8K1H
Crystal structure of ethylene glycol-bound glycerol dehydrogenase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97940 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 179.732, 179.732, 84.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.950 - 2.100 |
R-factor | 0.1708 |
Rwork | 0.170 |
R-free | 0.19170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zxl |
RMSD bond length | 0.007 |
RMSD bond angle | 0.975 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.153 | 0.910 |
Number of reflections | 40658 | 2023 |
<I/σ(I)> | 49.5 | 2.2 |
Completeness [%] | 100.0 | |
Redundancy | 17.6 | |
CC(1/2) | 0.996 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 297 | 0.6 M ammonium tartrate dibasic, 0.15 M sodium acetate trihydrate(pH4.6) |