1K4J
Crystal Structure of the Acyl-homoserinelactone Synthase EsaI Complexed with Rhenate
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 1999-11-13 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.14, 1.1724, 1.1719, 1.19 |
| Spacegroup name | P 43 |
| Unit cell lengths | 66.390, 66.390, 47.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.216 * |
| Rwork | 0.216 |
| R-free | 0.27500 |
| Structure solution method | MAD |
| Starting model (for MR) | none |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.042 * | 0.175 * |
| Total number of observations | 32922 * | |
| Number of reflections | 7283 * | |
| <I/σ(I)> | 20.9 | 3.2 |
| Completeness [%] | 97.0 | 98.1 |
| Redundancy | 4.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.1 | 291 | PEG 4000, 2-propanol, MES, EDTA, beta-mercaptoethanol, NaN3, 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 (%) |
