1KZF
Crystal Structure of the Acyl-homoserine Lactone Synthase, EsaI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2000-09-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 43 |
| Unit cell lengths | 66.991, 66.991, 47.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.209 * |
| Rwork | 0.209 |
| R-free | 0.24300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.350 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 * | 0.195 * |
| Total number of observations | 174794 * | |
| Number of reflections | 19521 | |
| <I/σ(I)> | 48.5 | 5.2 |
| Completeness [%] | 96.5 | 92 |
| Redundancy | 9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.1 | 291 | MES, PEG 4000, 2-propanol, EDTA, NaN3, 2-mercaptoethanol, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.1 |
| 3 | 1 | reservoir | PEG4000 | 14 (%) | |
| 4 | 1 | reservoir | isopropanol | 6 (%) | |
| 5 | 1 | reservoir | beta-mercaptoethanol | 0.03 (%) | |
| 6 | 1 | reservoir | EDTA | 10 (mM) | |
| 7 | 1 | reservoir | 0.5 (%) |
