3H17
Crystal structure of EstE5-PMSF (I)
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 | 61.137, 61.137, 148.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.250 - 2.500 |
| R-factor | 0.18726 |
| Rwork | 0.187 |
| R-free | 0.23504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fak |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.871 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Total number of observations | 90195 | |
| Number of reflections | 9616 | |
| Completeness [%] | 91.7 | 67.8 |
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 |
