2P2B
Acetyl-CoA Synthetase, V386A mutation
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) | 1.10 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.915, 143.076, 71.379 |
| Unit cell angles | 90.00, 90.97, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pg4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.349 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.047 | 0.148 |
| Number of reflections | 59117 | |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 96.9 | 92.6 |
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 Propyl-AMP, 1 mM TCEP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
