1MJ9
Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2001-03-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 181.301, 181.301, 181.301 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.232 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fy7 |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.222 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.083 | 0.316 |
| Total number of observations | 456785 * | |
| Number of reflections | 17931 * | |
| <I/σ(I)> | 28.6 | 7 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 25.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 20 * | sodium cacodylate, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.2 (mM) | |
| 2 | 1 | drop | CoA | 0.5 (mM) | |
| 3 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.5 |
| 4 | 1 | reservoir | ammonium sulfate | 1.5-1.7 (M) |
