6HXL
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate and CoASH (space group P21)
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 PILATUS 2M-F |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.711, 147.895, 113.688 |
| Unit cell angles | 90.00, 105.28, 90.00 |
Refinement procedure
| Resolution | 47.850 - 1.350 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | M. soehngenii ACL structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| 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 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 1.641 | |
| Rmeas | 0.128 | 1.645 |
| Rpim | 0.072 | 1.041 |
| Number of reflections | 458935 | 71629 |
| <I/σ(I)> | 8.96 | 1.05 |
| Completeness [%] | 97.4 | 94.2 |
| Redundancy | 6.9 | 6.7 |
| CC(1/2) | 0.997 | 0.421 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 21% PEG8000 0.1 M HEPES pH 7.0 0.15 M ammonium sulphate Protein sample buffer 20 mM HBS, 150 mM NaCl, pH 7.4 supplemented with 50 mM citrate pH 7.4 and 10 mM CoASH |
