6OVI
Crystal Structure of KDPG Aldolase from Legionella Pneumophila with pyruvate captured at low pH as a covalent carbinolamine intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-21 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.420, 79.140, 70.060 |
Unit cell angles | 90.00, 117.40, 90.00 |
Refinement procedure
Resolution | 36.230 - 1.600 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eua |
RMSD bond length | 0.006 |
RMSD bond angle | 0.813 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.041 | 0.552 |
Number of reflections | 88619 | 27310 |
<I/σ(I)> | 17.66 | 2.34 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | JCSG+ B1 (100 MM CITRATE, PH 4.0, 800 MM AMMONIUM SULFATE), 25% EG CRYO, TRAY 305567B1 PUCK LYZ8-4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |