3G9Z
Crystal structure of EstE5, was soaked by p-nitrophenyl caprylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 60.896, 60.896, 145.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.920 - 2.200 |
| R-factor | 0.19249 |
| Rwork | 0.189 |
| R-free | 0.27192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fak |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.190 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
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 | 147406 | |
| Number of reflections | 14373 | |
| Completeness [%] | 98.1 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295.5 | 0.1M Tris-HCl pH 7.0-7.5, 1.8-2.2M ammonium sulfate, 0.2M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K |
