1HND
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III-COA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-04-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.510, 72.510, 102.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| Rwork | 0.213 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | FabH-AcCoA complex |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.130 | 0.250 |
| Total number of observations | 166321 * | |
| Number of reflections | 29689 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 81.0 | 35 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 * | Janson, C.A., (2000) Acta Crystallogr.D, 56, 747. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 2 (mM) | |
| 5 | 1 | reservoir | magnesium chloride | 0.1 (M) | |
| 6 | 1 | reservoir | Tris-HCl | 0.05 (M) | |
| 7 | 1 | reservoir | PEG4000 | 15 (%) |
