6QCL
Citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase in complex with acetyl-CoA and L-malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 102.730, 100.817, 105.012 |
Unit cell angles | 90.00, 102.99, 90.00 |
Refinement procedure
Resolution | 45.620 - 1.600 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hxj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.620 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmeas | 0.126 | 0.146 |
Number of reflections | 270869 | 43070 |
<I/σ(I)> | 11.86 | 1.31 |
Completeness [%] | 98.8 | 97.6 |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.998 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.1 | 293 | 0.2 M Calcium chloride 20% PEG 3350 pH 5.1 Protein buffer: 20 mM HEPES, pH 7.4 150 mM NaCl 10 mM acetyl-CoA 50 mM L-Malate |