3H1B
Crystal structure of EstE5, was soaked by isopropyl alcohol
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 | 2009-02-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.23 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.307, 61.307, 150.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.490 - 2.100 |
| R-factor | 0.23948 |
| Rwork | 0.239 |
| R-free | 0.29528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fak |
| RMSD bond length | 0.041 |
| RMSD bond angle | 3.363 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Total number of observations | 109841 | |
| Number of reflections | 16034 | |
| Completeness [%] | 91.2 | 75.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M Tris-HCl pH 7.5, 2.2M ammonium sulfate, 0.2M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
