8RPL
AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP
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 | 2023-09-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97630 |
Spacegroup name | H 3 2 |
Unit cell lengths | 161.909, 161.909, 817.234 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.304 - 2.370 |
Rwork | 0.161 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.698 |
Data reduction software | XDS (20230630) |
Data scaling software | Aimless (0.7.9) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmeas | 0.146 | 2.970 |
Number of reflections | 167479 | 34212 |
<I/σ(I)> | 16 | 1.13 |
Completeness [%] | 99.9 | 100 |
Redundancy | 20.4 | 21.6 |
CC(1/2) | 0.999 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2 uL (protein in 50 mM HEPES pH 7.5, 100 mM KCl) + 2 uL (25% PEG 400, 0.1 M Na-MES, pH 6.5, 0.05 M MnCl2 or MgCl2) |