5CH5
E3 alpha-esterase-7 carboxylesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8266 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 51.816, 101.254, 225.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.200 - 1.530 |
| R-factor | 0.20001 |
| Rwork | 0.198 |
| R-free | 0.23773 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fng |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.932 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.146 | 1.790 |
| Number of reflections | 85388 | |
| <I/σ(I)> | 11.6 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.7 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 20% PEG 2K MME, 100 mM sodium acetate pH 4.5 |
