6HXI
Structure of ATP citrate lyase from Methanothrix soehngenii in complex with citrate and coenzyme A
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 | 2017-10-25 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.451, 275.020, 72.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.750 - 2.100 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ACL structure from C. limicola |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmeas | 0.112 | 0.141 |
| Number of reflections | 138565 | 21584 |
| <I/σ(I)> | 13.07 | 1.09 |
| Completeness [%] | 99.4 | 97.1 |
| Redundancy | 6.1 | 5.1 |
| CC(1/2) | 0.999 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 14% PEG3350 4% tacsimate pH 8.0 Protein sample buffer: 20 mM citrate pH 6.0, 150 mM NaCl 10 mM CoASH |
