8RPK
AMP-forming Acetyl-CoA synthetase from Chloroflexota bacterium without bound ligand
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 | 2023-09-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | H 3 2 |
Unit cell lengths | 161.352, 161.352, 814.182 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 272.000 - 2.615 |
Rwork | 0.163 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.872 |
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] | 272.000 | 2.820 |
High resolution limit [Å] | 2.615 | 2.620 |
Rmerge | 0.119 | 1.952 |
Rmeas | 0.122 | 2.002 |
Rpim | 0.027 | 0.445 |
Number of reflections | 100973 | 5050 |
<I/σ(I)> | 19.1 | 1.7 |
Completeness [%] | 81.5 | 20.4 |
Redundancy | 2.6 | 20 |
CC(1/2) | 0.999 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | HEPES |