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 |