2P2M
Acetyl-CoA Synthetase, R194A mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2005-03-02 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.721, 95.499, 163.574 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.350 - 2.110 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IPG4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.138 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.055 | 0.274 |
| Number of reflections | 77387 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 91.8 | 60.1 |
| Redundancy | 3.4 | 1.6 |
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 |
