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 |
