1K6D
CRYSTAL STRUCTURE OF ACETATE COA-TRANSFERASE ALPHA SUBUNIT
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-18 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 62 |
| Unit cell lengths | 88.496, 88.496, 105.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.23500 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.200 * |
| Data reduction software | HKL-2000 |
| Data scaling software | d*TREK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.677 |
| Number of reflections | 36818 | |
| <I/σ(I)> | 28.5 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Mg acetate; MPD; Glycine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Mg acetate; MPD; Glycine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | bis-Tris-propane | 20 (mM) | pH8.0 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 2 (mM) | |
| 4 | 1 | reservoir | MPD | 6-10 (%) | |
| 5 | 1 | reservoir | sodium citrate | 0.1 (M) | pH6.5 |
| 6 | 1 | reservoir | magnesium acetate | 0.2 (M) |
