6HXO
Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P21)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.261, 106.416, 105.051 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 48.530 - 1.500 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Structure of C. limicola ACL holoenzyme |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmeas | 0.095 | 1.641 |
| Number of reflections | 332084 | 52538 |
| <I/σ(I)> | 9.07 | 0.78 |
| Completeness [%] | 97.4 | 95.6 |
| Redundancy | 3.47 | 3.46 |
| CC(1/2) | 0.998 | 0.324 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 22% PEG Smear Broad 0.1 M MES pH 6.5 Protein sample buffer 20 mM HEPES, pH 7.4, 150 mM NaCL supplemented with 50 mM citrate pH 7.4 |
