8BZX
1-deoxy-D-xylulose 5-phosphate synthase from Klebsiella pneumoniae (kpDXPS),co-crystal with thiamine monophosphate analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 273.15 |
Detector technology | PIXEL |
Collection date | 2022-11-03 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.8856 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 119.249, 150.969, 142.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.790 - 2.050 |
R-factor | 0.2194 |
Rwork | 0.217 |
R-free | 0.26410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.818 |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.790 | 2.123 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.069 | 0.238 |
Number of reflections | 80381 | 7953 |
<I/σ(I)> | 3 | 7.2 |
Completeness [%] | 99.8 | |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291.15 | 200 mM MgCl2, 100 mM HEPES pH 7.5 and 18% PEG8000 |