6HXN
Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P3121)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980042 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.029, 110.029, 92.749 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.000 - 1.700 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | C. limicola ACL holoenzyme |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| 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] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.167 | 1.542 |
| Number of reflections | 71556 | 11412 |
| <I/σ(I)> | 14.87 | 1.64 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 15.3 | 15.4 |
| CC(1/2) | 0.999 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.6 M Lithium sulphate 0.1 M Tris pH 8.0 Protein Sample buffer: 20 mM HEPES pH 7.4, 150 mM NaCl |
