3FCX
Crystal structure of human esterase D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2008-07-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.542, 70.724, 65.014 |
| Unit cell angles | 90.00, 108.84, 90.00 |
Refinement procedure
| Resolution | 40.160 - 1.500 |
| R-factor | 0.17685 |
| Rwork | 0.176 |
| R-free | 0.19612 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pv1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.325 | 0.325 |
| Number of reflections | 69289 | |
| <I/σ(I)> | 20.5 | 20.5 |
| Completeness [%] | 98.1 | 99.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 200mm ammonium acetate, 30% PEG4000, pH5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
