6Z2H
Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.
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) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.436, 114.271, 144.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.800 |
| R-factor | 0.1596 |
| Rwork | 0.158 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hxl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.109 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.150 | 1.208 |
| Number of reflections | 105289 | 16581 |
| <I/σ(I)> | 15.02 | 1.85 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 15.06 | |
| CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M sodium actetate pH 7.0 20 % PEG3350 65 mM oxaloacetate 7 mM acetyl-CoA |
