8A4D
1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with a thiamine analog inhibitor
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 | 2021-06-27 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.618, 137.618, 231.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.540 - 2.200 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ouv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.121 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.710 | 2.279 |
High resolution limit [Å] | 2.100 | 2.200 |
Rmerge | 0.109 | 0.566 |
Number of reflections | 216634 | 18546 |
<I/σ(I)> | 6.86 | |
Completeness [%] | 99.6 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 100mM HEPES, 12% PEG-8000 and 200mM calcium acetate |