2P20
Acetyl-CoA Synthetase, R584A mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2005-07-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.837, 95.408, 164.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.220 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pg4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.245 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.227 | 2.320 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.062 | 0.314 |
| Total number of observations | 19336 | |
| Number of reflections | 67992 | |
| <I/σ(I)> | 8.4 | 0.9 |
| Completeness [%] | 92.0 | 61.6 |
| Redundancy | 4.6 | 3 |
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 |
