8Y11
Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to NAD(H) and sulfate ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2022-10-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.337, 103.894, 133.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.390 - 1.770 |
R-factor | 0.1834 |
Rwork | 0.182 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.016 |
RMSD bond angle | 1.535 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.390 | 1.833 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 220052 | 11338 |
<I/σ(I)> | 16 | |
Completeness [%] | 100.0 | |
Redundancy | 19.84 | |
CC(1/2) | 0.995 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M Tris-HCl pH8.5, 25% PEG4000 |