2P2F
Acetyl-CoA Synthetase, wild-type with acetate, AMP, and CoA bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2003-03-28 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.906, 94.933, 161.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.580 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.24700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1pg4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.532 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.650 | 2.700 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.072 | 0.224 |
| Number of reflections | 42079 | |
| <I/σ(I)> | 10.8 | 1 |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | 6-15% PEG 8000, 9-13% ethylene glycol, 50 mM BTP, 1 mM CoA, 1 mM Acetate, 1 mM AMP, 1 mM TCEP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
