3K6K
Crystal structure at 2.2 angstrom of HSL-homolog EstE7 from a metagenome library
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.23 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 117.157, 127.699, 232.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 2.200 |
| R-factor | 0.226 |
| Rwork | 0.223 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dnm |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.976 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Total number of observations | 420468 | |
| Number of reflections | 84721 | |
| <I/σ(I)> | 10.09 | 1.82 |
| Completeness [%] | 95.6 | 82.5 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1M Bis-Tris propane, pH 7.0, 0.2M ammonium sulfate, 1M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
