6HXJ
Structure of ATP citrate lyase from Chlorobium limicola in complex with citrate and coenzyme A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.670, 134.930, 177.710 |
| Unit cell angles | 90.00, 101.65, 90.00 |
Refinement procedure
| Resolution | 47.550 - 2.580 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3PFF: Truncated human ATP citrate lyase |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| 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] | 47.550 | 2.740 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmeas | 0.111 | 1.765 |
| Number of reflections | 144945 | 22149 |
| <I/σ(I)> | 9.15 | 0.86 |
| Completeness [%] | 98.5 | 93.5 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.997 | 0.361 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 24% PEG Smear High 0.1 M Tris pH 8.0 Protein sample buffer: 20 mM Citrate pH 6.0 150 mM NaCl 10 mM CoASH |
