8A9C
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae in complex with cofactor TPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-19 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.673, 72.559, 91.438 |
Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
Resolution | 43.370 - 1.800 |
R-factor | 0.1561 |
Rwork | 0.154 |
R-free | 0.19060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o1s |
RMSD bond length | 0.016 |
RMSD bond angle | 1.253 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.370 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.066 | 0.561 |
Number of reflections | 100675 | 14606 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 97.9 | |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3000, HEPES |